4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile

C14H18N2 — CID 103711563

IUPAC4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
SMILESCCCC1CC1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2/c1-2-3-13-8-14(13)16-10-12-6-4-11(9-15)5-7-12/h4-7,13-14,16H,2-3,8,10H2,1H3
InChIKeySWFFCIIAGGUZRY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds5

About 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile

4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile (PubChem CID 103711563) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
PubChem CID103711563
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
SMILESCCCC1CC1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2/c1-2-3-13-8-14(13)16-10-12-6-4-11(9-15)5-7-12/h4-7,13-14,16H,2-3,8,10H2,1H3
InChIKeySWFFCIIAGGUZRY-UHFFFAOYSA-N
XLogP2.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
CID 115664716
N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664685
4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
CID 43709316
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
CID 64501741
4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
CID 64501740
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
4-[[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]benzonitrile
CID 113496050

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile (CID 103711563) is 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile is CCCC1CC1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile?
The InChIKey is SWFFCIIAGGUZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-13-8-14(13)16-10-12-6-4-11(9-15)5-7-12/h4-7,13-14,16H,2-3,8,10H2,1H3.
What are the key properties of 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile?
4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile is sourced from PubChem (CID 103711563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).