4-(dicyclohexylamino)-2-(methylamino)butanenitrile

C17H31N3 — CID 63027303

IUPAC4-(dicyclohexylamino)-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31N3/c1-19-15(14-18)12-13-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h15-17,19H,2-13H2,1H3
InChIKeyHPONIVWEYKUXBA-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.46
Rot. Bonds6

About 4-(dicyclohexylamino)-2-(methylamino)butanenitrile

4-(dicyclohexylamino)-2-(methylamino)butanenitrile (PubChem CID 63027303) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-(dicyclohexylamino)-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(dicyclohexylamino)-2-(methylamino)butanenitrile
PubChem CID63027303
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-(dicyclohexylamino)-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31N3/c1-19-15(14-18)12-13-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h15-17,19H,2-13H2,1H3
InChIKeyHPONIVWEYKUXBA-UHFFFAOYSA-N
XLogP3.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cycloheptyl(methyl)amino]-2-(propylamino)butanenitrile
CID 63027524
4-cyclopentyloxy-2-(methylamino)butanenitrile
CID 63030165
4-[cyclopentyl(ethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63030045
N',N'-dicyclohexyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63915367
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile
CID 115561380
4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
CID 63030043
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methylamino)butanenitrile
CID 82750370
5-methyl-2-(methylamino)hexanenitrile
CID 131187113
2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
CID 63027745
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
2-[cyclopropyl(3-methylbutyl)amino]cycloheptane-1-carbonitrile
CID 78974231
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclohexylamino)-2-(methylamino)butanenitrile?
The IUPAC name of 4-(dicyclohexylamino)-2-(methylamino)butanenitrile (CID 63027303) is 4-(dicyclohexylamino)-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(dicyclohexylamino)-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(dicyclohexylamino)-2-(methylamino)butanenitrile is CNC(C#N)CCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-(dicyclohexylamino)-2-(methylamino)butanenitrile?
The InChIKey is HPONIVWEYKUXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-19-15(14-18)12-13-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h15-17,19H,2-13H2,1H3.
What are the key properties of 4-(dicyclohexylamino)-2-(methylamino)butanenitrile?
4-(dicyclohexylamino)-2-(methylamino)butanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclohexylamino)-2-(methylamino)butanenitrile is sourced from PubChem (CID 63027303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).