3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile

C15H27N3 — CID 63913144

IUPAC3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN(C)CC1CCCCC1)C1CC1
InChIInChI=1S/C15H27N3/c1-17-15(11-16,14-8-9-14)12-18(2)10-13-6-4-3-5-7-13/h13-14,17H,3-10,12H2,1-2H3
InChIKeyPCUXOESDQDICRL-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.39
Rot. Bonds6

About 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile

3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 63913144) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID63913144
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN(C)CC1CCCCC1)C1CC1
InChIInChI=1S/C15H27N3/c1-17-15(11-16,14-8-9-14)12-18(2)10-13-6-4-3-5-7-13/h13-14,17H,3-10,12H2,1-2H3
InChIKeyPCUXOESDQDICRL-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63915100
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
CID 64522230
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanenitrile
CID 63912053
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 63907711
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63907289
3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63908827
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
CID 63913959
2-[cyclohexylmethyl(methyl)amino]acetonitrile
CID 60750592
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905879
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (CID 63913144) is 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C#N)(CN(C)CC1CCCCC1)C1CC1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is PCUXOESDQDICRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17-15(11-16,14-8-9-14)12-18(2)10-13-6-4-3-5-7-13/h13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63913144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).