2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile

C16H23N3O — CID 81304710

IUPAC2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
SMILESCCN(c1cc(OC)ccc1C#N)C1CCCC1CN
InChIInChI=1S/C16H23N3O/c1-3-19(15-6-4-5-12(15)10-17)16-9-14(20-2)8-7-13(16)11-18/h7-9,12,15H,3-6,10,17H2,1-2H3
InChIKeyVXOLSKZZUQTADS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.52
Rot. Bonds5

About 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile

2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile (PubChem CID 81304710) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
PubChem CID81304710
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
SMILESCCN(c1cc(OC)ccc1C#N)C1CCCC1CN
InChIInChI=1S/C16H23N3O/c1-3-19(15-6-4-5-12(15)10-17)16-9-14(20-2)8-7-13(16)11-18/h7-9,12,15H,3-6,10,17H2,1-2H3
InChIKeyVXOLSKZZUQTADS-UHFFFAOYSA-N
XLogP2.52
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile (CID 81304710) is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile is CCN(c1cc(OC)ccc1C#N)C1CCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile?
The InChIKey is VXOLSKZZUQTADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(15-6-4-5-12(15)10-17)16-9-14(20-2)8-7-13(16)11-18/h7-9,12,15H,3-6,10,17H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile?
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile is sourced from PubChem (CID 81304710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).