3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile

C12H22N2 — CID 62048384

IUPAC3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
SMILESCCN(CCC#N)C1CCC(C)CC1
InChIInChI=1S/C12H22N2/c1-3-14(10-4-9-13)12-7-5-11(2)6-8-12/h11-12H,3-8,10H2,1-2H3
InChIKeyZZJDZGXULGJPCH-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds4

About 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile

3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile (PubChem CID 62048384) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
PubChem CID62048384
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
SMILESCCN(CCC#N)C1CCC(C)CC1
InChIInChI=1S/C12H22N2/c1-3-14(10-4-9-13)12-7-5-11(2)6-8-12/h11-12H,3-8,10H2,1-2H3
InChIKeyZZJDZGXULGJPCH-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
3-[cyclopropyl(2-oxoethyl)amino]propanenitrile
CID 62037220
3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
CID 115666797
3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
CID 63619038
3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
CID 81105424
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
CID 102734559
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
CID 23299105
butyl 2-[2-cyanoethyl(cyclopropyl)amino]acetate
CID 55206978
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile (CID 62048384) is 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile is CCN(CCC#N)C1CCC(C)CC1.
What is the InChIKey of 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile?
The InChIKey is ZZJDZGXULGJPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-14(10-4-9-13)12-7-5-11(2)6-8-12/h11-12H,3-8,10H2,1-2H3.
What are the key properties of 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile?
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile is sourced from PubChem (CID 62048384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).