Chemical ID: 5605647

CCCNC(=O)OCC12CC3CC(C1)CC(C3)C2
Chemical ID:
5605647
Name [?]:
1-adamantylmethyl propylaminoformate
SMILES [?]:
CCCNC(=O)OCC12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C15H25NO2/c1-2-3-16-14(17)18-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,15,17,14,10,18,8,13,11,16,5,9,4,6,7/E:(4,5,6)(7,8,9)(11,12,13)/rA:18nCCCNCOOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.80982
Area:441.149
Solvation:-1.2189
Coulombic:-35.513
Bond Count [?]
All:20
Single:19
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:251.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.35
LogP (Chemaxon):3.04

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