2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile

C19H26N2 — CID 43569121

IUPAC2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile
SMILESCC(C1CC1)N(C)C1CC(c2ccccc2)CCC1C#N
InChIInChI=1S/C19H26N2/c1-14(15-8-9-15)21(2)19-12-17(10-11-18(19)13-20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-12H2,1-2H3
InChIKeyXHQHIXHGFIGUDK-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.19
Rot. Bonds4

About 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile

2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile (PubChem CID 43569121) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile
PubChem CID43569121
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile
SMILESCC(C1CC1)N(C)C1CC(c2ccccc2)CCC1C#N
InChIInChI=1S/C19H26N2/c1-14(15-8-9-15)21(2)19-12-17(10-11-18(19)13-20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-12H2,1-2H3
InChIKeyXHQHIXHGFIGUDK-UHFFFAOYSA-N
XLogP4.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine
CID 43568806
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile
CID 79380287
2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
CID 43291512
2-(3,5-dimethylpyrazol-1-yl)-4-phenylcyclohexane-1-carbonitrile
CID 43292067
2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile
CID 43291574
3-[1-(4-phenylcyclohexyl)ethylamino]propanenitrile;hydrochloride
CID 3031186
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
CID 43293727
4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79476145
2-(2-methyloxolan-3-yl)sulfanyl-4-phenylcyclohexane-1-carbonitrile
CID 107749433
2-hexoxy-4-phenylcyclohexane-1-carbonitrile
CID 43292764
1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
CID 62334960
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile (CID 43569121) is 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile is CC(C1CC1)N(C)C1CC(c2ccccc2)CCC1C#N.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile?
The InChIKey is XHQHIXHGFIGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(15-8-9-15)21(2)19-12-17(10-11-18(19)13-20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-12H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile?
2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile has a molecular weight of 282.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43569121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).