2-[cyclopentyl(pentyl)amino]acetonitrile

C12H22N2 — CID 62048934

IUPAC2-[cyclopentyl(pentyl)amino]acetonitrile
SMILESCCCCCN(CC#N)C1CCCC1
InChIInChI=1S/C12H22N2/c1-2-3-6-10-14(11-9-13)12-7-4-5-8-12/h12H,2-8,10-11H2,1H3
InChIKeyQGCAJXASHTVQES-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.94
Rot. Bonds6

About 2-[cyclopentyl(pentyl)amino]acetonitrile

2-[cyclopentyl(pentyl)amino]acetonitrile (PubChem CID 62048934) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[cyclopentyl(pentyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(pentyl)amino]acetonitrile
PubChem CID62048934
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[cyclopentyl(pentyl)amino]acetonitrile
SMILESCCCCCN(CC#N)C1CCCC1
InChIInChI=1S/C12H22N2/c1-2-3-6-10-14(11-9-13)12-7-4-5-8-12/h12H,2-8,10-11H2,1H3
InChIKeyQGCAJXASHTVQES-UHFFFAOYSA-N
XLogP2.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(pentyl)amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl(pentyl)amino]acetonitrile (CID 62048934) is 2-[cyclopentyl(pentyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl(pentyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl(pentyl)amino]acetonitrile is CCCCCN(CC#N)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(pentyl)amino]acetonitrile?
The InChIKey is QGCAJXASHTVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-6-10-14(11-9-13)12-7-4-5-8-12/h12H,2-8,10-11H2,1H3.
What are the key properties of 2-[cyclopentyl(pentyl)amino]acetonitrile?
2-[cyclopentyl(pentyl)amino]acetonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(pentyl)amino]acetonitrile is sourced from PubChem (CID 62048934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).