Chemical ID: 5010792

CCC1CCNC1CC(C)CC(C)(C)C
Chemical ID:
5010792
Name [?]:
3-ethyl-2-(2,4,4-trimethylpentyl)pyrrolidine
SMILES [?]:
CCC1CCNC1CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C14H29N/c1-6-12-7-8-15-13(12)9-11(2)10-14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,15,2,4,5,8,11,9,3,7,12,6/E:(3,4,5)/rA:15cCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s9;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H29N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:9.82428
Area:413.897
Solvation:-0.523151
Coulombic:-11.5992
Bond Count [?]
All:15
Single:15
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.387
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.34
LogP (Chemaxon):4.08

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Descriptor Annotations

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