2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile

C16H19N3O — CID 62960931

IUPAC2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1ccc(OCC#N)cc1
InChIInChI=1S/C16H19N3O/c1-12(19-16-4-2-3-14(16)11-18)13-5-7-15(8-6-13)20-10-9-17/h5-8,12,14,16,19H,2-4,10H2,1H3
InChIKeyVYYQMGKKYDQVOD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile

2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile (PubChem CID 62960931) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
PubChem CID62960931
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1ccc(OCC#N)cc1
InChIInChI=1S/C16H19N3O/c1-12(19-16-4-2-3-14(16)11-18)13-5-7-15(8-6-13)20-10-9-17/h5-8,12,14,16,19H,2-4,10H2,1H3
InChIKeyVYYQMGKKYDQVOD-UHFFFAOYSA-N
XLogP2.93
TPSA68.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
CID 43784266
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
CID 64923501
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
2-[4-[1-[(1,1-dioxothian-3-yl)amino]ethyl]phenoxy]acetonitrile
CID 63922916
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile (CID 62960931) is 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is VYYQMGKKYDQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(19-16-4-2-3-14(16)11-18)13-5-7-15(8-6-13)20-10-9-17/h5-8,12,14,16,19H,2-4,10H2,1H3.
What are the key properties of 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile?
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62960931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).