2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile

C17H24N2 — CID 43291873

IUPAC2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCCN(Cc1ccccc1)C1CC(C)CCC1C#N
InChIInChI=1S/C17H24N2/c1-3-19(13-15-7-5-4-6-8-15)17-11-14(2)9-10-16(17)12-18/h4-8,14,16-17H,3,9-11,13H2,1-2H3
InChIKeyHFNVHJMYQLIZQQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.84
Rot. Bonds4

About 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 43291873) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID43291873
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCCN(Cc1ccccc1)C1CC(C)CCC1C#N
InChIInChI=1S/C17H24N2/c1-3-19(13-15-7-5-4-6-8-15)17-11-14(2)9-10-16(17)12-18/h4-8,14,16-17H,3,9-11,13H2,1-2H3
InChIKeyHFNVHJMYQLIZQQ-UHFFFAOYSA-N
XLogP3.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63955782
3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607984
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
CID 43292101
2-[benzyl(ethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 63068416
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
CID 62115637
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61450752
2-[cyclopropyl(furan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55003320
4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79476145
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 43291873) is 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile is CCN(Cc1ccccc1)C1CC(C)CCC1C#N.
What is the InChIKey of 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is HFNVHJMYQLIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-19(13-15-7-5-4-6-8-15)17-11-14(2)9-10-16(17)12-18/h4-8,14,16-17H,3,9-11,13H2,1-2H3.
What are the key properties of 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).