4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile

C14H19N3O — CID 113460277

IUPAC4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NC1CCCC1CN
InChIInChI=1S/C14H19N3O/c1-18-14-7-10(8-15)5-6-13(14)17-12-4-2-3-11(12)9-16/h5-7,11-12,17H,2-4,9,16H2,1H3
InChIKeyBVZIZSRWZRVNIC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds4

About 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile

4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile (PubChem CID 113460277) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
PubChem CID113460277
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NC1CCCC1CN
InChIInChI=1S/C14H19N3O/c1-18-14-7-10(8-15)5-6-13(14)17-12-4-2-3-11(12)9-16/h5-7,11-12,17H,2-4,9,16H2,1H3
InChIKeyBVZIZSRWZRVNIC-UHFFFAOYSA-N
XLogP2.11
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methoxyanilino)cycloheptane-1-carbonitrile
CID 104848615
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580
2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile
CID 82707820
4-[(3-cyclopropylcyclohexyl)amino]-3-methoxybenzonitrile
CID 104848126
3-methoxy-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 104848127
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile
CID 104848349
3-methoxy-4-(piperidin-3-ylamino)benzonitrile
CID 104848330
3-methoxy-4-(piperidin-3-ylmethylamino)benzonitrile
CID 113460318
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
3-methoxy-4-(spiro[3.5]nonan-3-ylamino)benzonitrile
CID 102952352
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile (CID 113460277) is 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile is COc1cc(C#N)ccc1NC1CCCC1CN.
What is the InChIKey of 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile?
The InChIKey is BVZIZSRWZRVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-14-7-10(8-15)5-6-13(14)17-12-4-2-3-11(12)9-16/h5-7,11-12,17H,2-4,9,16H2,1H3.
What are the key properties of 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile?
4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile is sourced from PubChem (CID 113460277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).