2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile

C14H26N2 — CID 43291631

IUPAC2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
SMILESCCCCN(C)C1CC(CC)CCC1C#N
InChIInChI=1S/C14H26N2/c1-4-6-9-16(3)14-10-12(5-2)7-8-13(14)11-15/h12-14H,4-10H2,1-3H3
InChIKeyJXIYELCPVWYBGI-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.44
Rot. Bonds5

About 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile

2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile (PubChem CID 43291631) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
PubChem CID43291631
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
SMILESCCCCN(C)C1CC(CC)CCC1C#N
InChIInChI=1S/C14H26N2/c1-4-6-9-16(3)14-10-12(5-2)7-8-13(14)11-15/h12-14H,4-10H2,1-3H3
InChIKeyJXIYELCPVWYBGI-UHFFFAOYSA-N
XLogP3.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile
CID 63091107
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
CID 43572083
4-[(2-cyano-5-ethylcyclohexyl)-methylamino]benzonitrile
CID 62969646
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
CID 55002711
4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 43564181
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
CID 63693484
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile (CID 43291631) is 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile is CCCCN(C)C1CC(CC)CCC1C#N.
What is the InChIKey of 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is JXIYELCPVWYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-6-9-16(3)14-10-12(5-2)7-8-13(14)11-15/h12-14H,4-10H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).