2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile

C16H20N2 — CID 77037858

IUPAC2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
SMILESN#CCN(CC=Cc1ccccc1)C1CCCC1
InChIInChI=1S/C16H20N2/c17-12-14-18(16-10-4-5-11-16)13-6-9-15-7-2-1-3-8-15/h1-3,6-9,16H,4-5,10-11,13-14H2
InChIKeyJYQSTCGKURILRR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.47
Rot. Bonds5

About 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile

2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile (PubChem CID 77037858) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
PubChem CID77037858
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
SMILESN#CCN(CC=Cc1ccccc1)C1CCCC1
InChIInChI=1S/C16H20N2/c17-12-14-18(16-10-4-5-11-16)13-6-9-15-7-2-1-3-8-15/h1-3,6-9,16H,4-5,10-11,13-14H2
InChIKeyJYQSTCGKURILRR-UHFFFAOYSA-N
XLogP3.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
2-[cyclopentyl-[(2-methylphenyl)methyl]amino]acetonitrile
CID 62048389
2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
CID 62048932
[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
CID 131908508
[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
2-[cyclopentyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]acetonitrile
CID 115883271
N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 10702807
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine
CID 106635606
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile (CID 77037858) is 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile is N#CCN(CC=Cc1ccccc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile?
The InChIKey is JYQSTCGKURILRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-12-14-18(16-10-4-5-11-16)13-6-9-15-7-2-1-3-8-15/h1-3,6-9,16H,4-5,10-11,13-14H2.
What are the key properties of 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile?
2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile is sourced from PubChem (CID 77037858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).