3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile

C15H20N2 — CID 64908206

IUPAC3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
SMILESCC1CCC(NCc2cccc(C#N)c2)C1C
InChIInChI=1S/C15H20N2/c1-11-6-7-15(12(11)2)17-10-14-5-3-4-13(8-14)9-16/h3-5,8,11-12,15,17H,6-7,10H2,1-2H3
InChIKeyFIEVUDZIXZDYTB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds3

About 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile

3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile (PubChem CID 64908206) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
PubChem CID64908206
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
SMILESCC1CCC(NCc2cccc(C#N)c2)C1C
InChIInChI=1S/C15H20N2/c1-11-6-7-15(12(11)2)17-10-14-5-3-4-13(8-14)9-16/h3-5,8,11-12,15,17H,6-7,10H2,1-2H3
InChIKeyFIEVUDZIXZDYTB-UHFFFAOYSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
3-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]benzonitrile
CID 51683301
3-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 54936135
3-[[(4-methoxycyclohexyl)amino]methyl]benzonitrile
CID 113414372
3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
CID 115664716
3-[(azepan-4-ylamino)methyl]benzonitrile
CID 103981588
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
tert-butyl N-[2-[(3-cyanophenyl)methylamino]cyclopropyl]carbamate
CID 107238080
3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile
CID 114817461
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzonitrile
CID 28716590

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile (CID 64908206) is 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile is CC1CCC(NCc2cccc(C#N)c2)C1C.
What is the InChIKey of 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile?
The InChIKey is FIEVUDZIXZDYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-7-15(12(11)2)17-10-14-5-3-4-13(8-14)9-16/h3-5,8,11-12,15,17H,6-7,10H2,1-2H3.
What are the key properties of 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile?
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile is sourced from PubChem (CID 64908206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).