3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile

C15H27N3 — CID 63912621

IUPAC3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCCN(CC(C#N)(NC)C1CC1)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-3-18(14-7-5-4-6-8-14)12-15(11-16,17-2)13-9-10-13/h13-14,17H,3-10,12H2,1-2H3
InChIKeyXAYUALCQZYQSCI-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds6

About 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile

3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 63912621) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID63912621
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCCN(CC(C#N)(NC)C1CC1)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-3-18(14-7-5-4-6-8-14)12-15(11-16,17-2)13-9-10-13/h13-14,17H,3-10,12H2,1-2H3
InChIKeyXAYUALCQZYQSCI-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
CID 63913959
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
CID 64522230
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63915100
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanenitrile
CID 63912053
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63912692
3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63908827
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (CID 63912621) is 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile is CCN(CC(C#N)(NC)C1CC1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is XAYUALCQZYQSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-18(14-7-5-4-6-8-14)12-15(11-16,17-2)13-9-10-13/h13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63912621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).