4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

C13H16N2 — CID 115584359

IUPAC4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1CC1CNCc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2/c1-10-6-13(10)9-15-8-12-4-2-11(7-14)3-5-12/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyBINSXPHZHXZIRI-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.30
Rot. Bonds4

About 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (PubChem CID 115584359) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
PubChem CID115584359
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1CC1CNCc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2/c1-10-6-13(10)9-15-8-12-4-2-11(7-14)3-5-12/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyBINSXPHZHXZIRI-UHFFFAOYSA-N
XLogP2.30
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107880435
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile
CID 113463797
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
4-[[(4-cyanophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532389
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
4-[[(4-tert-butylphenyl)methylamino]methyl]benzonitrile
CID 60776869
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (CID 115584359) is 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is CC1CC1CNCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The InChIKey is BINSXPHZHXZIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-6-13(10)9-15-8-12-4-2-11(7-14)3-5-12/h2-5,10,13,15H,6,8-9H2,1H3.
What are the key properties of 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 115584359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).