Chemical ID: 4681472

CCC(CC)(CC1CCN(C1C(C)(C)C)Cc2ccccc2)O
Chemical ID:
4681472
Name [?]:
3-[(1-benzyl-2-tert-butyl-pyrrolidin-3-yl)methyl]pentan-3-ol
SMILES [?]:
CCC(CC)(CC1CCN(C1C(C)(C)C)Cc2ccccc2)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H35NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:10.7847
Area:512.179
Solvation:-2.01978
Coulombic:-25.2724
Bond Count [?]
All:24
Single:21
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.509
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.9
LogP (Chemaxon):5.13

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue