3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile

C15H20N2 — CID 106661595

IUPAC3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
SMILESCC1CC(C)(C)CC1Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2/c1-11-8-15(2,3)9-14(11)17-13-6-4-5-12(7-13)10-16/h4-7,11,14,17H,8-9H2,1-3H3
InChIKeyGZNTVFWPPIHMLR-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds2

About 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile

3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile (PubChem CID 106661595) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
PubChem CID106661595
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
SMILESCC1CC(C)(C)CC1Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2/c1-11-8-15(2,3)9-14(11)17-13-6-4-5-12(7-13)10-16/h4-7,11,14,17H,8-9H2,1-3H3
InChIKeyGZNTVFWPPIHMLR-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 114003389
3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 64776776
3-[(5,5-dimethylthian-3-yl)amino]benzonitrile
CID 79955320
3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084
3-methoxy-2-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 107467038
3-[(3-methoxycyclobutyl)amino]benzonitrile
CID 104869053
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662157
3,4,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662480
4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile?
The IUPAC name of 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile (CID 106661595) is 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile is CC1CC(C)(C)CC1Nc1cccc(C#N)c1.
What is the InChIKey of 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile?
The InChIKey is GZNTVFWPPIHMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-8-15(2,3)9-14(11)17-13-6-4-5-12(7-13)10-16/h4-7,11,14,17H,8-9H2,1-3H3.
What are the key properties of 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile?
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 106661595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).