2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile

C14H24N2 — CID 43291939

IUPAC2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)C2CCCC2)C1
InChIInChI=1S/C14H24N2/c1-11-7-8-12(10-15)14(9-11)16(2)13-5-3-4-6-13/h11-14H,3-9H2,1-2H3
InChIKeyHNFGLWBCQXHKEA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds2

About 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 43291939) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID43291939
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)C2CCCC2)C1
InChIInChI=1S/C14H24N2/c1-11-7-8-12(10-15)14(9-11)16(2)13-5-3-4-6-13/h11-14H,3-9H2,1-2H3
InChIKeyHNFGLWBCQXHKEA-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 43291939) is 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)C(N(C)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is HNFGLWBCQXHKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-7-8-12(10-15)14(9-11)16(2)13-5-3-4-6-13/h11-14H,3-9H2,1-2H3.
What are the key properties of 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).