3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile

C18H31N3 — CID 79626858

IUPAC3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
SMILESCN(CC1CCCCC1)C1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C18H31N3/c1-21(13-15-6-3-2-4-7-15)17-8-5-11-18(12-17,14-19)20-16-9-10-16/h15-17,20H,2-13H2,1H3
InChIKeyRQHYTVVTQGHDII-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.46
Rot. Bonds5

About 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile

3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile (PubChem CID 79626858) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
PubChem CID79626858
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
SMILESCN(CC1CCCCC1)C1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C18H31N3/c1-21(13-15-6-3-2-4-7-15)17-8-5-11-18(12-17,14-19)20-16-9-10-16/h15-17,20H,2-13H2,1H3
InChIKeyRQHYTVVTQGHDII-UHFFFAOYSA-N
XLogP3.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
CID 79625966
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopropylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclohexane-1-carbonitrile
CID 79850230
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627220
[3-[cyclopentylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656502
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79647676
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
3-(cyclohexylmethoxy)-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79650525

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile (CID 79626858) is 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile is CN(CC1CCCCC1)C1CCCC(C#N)(NC2CC2)C1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The InChIKey is RQHYTVVTQGHDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-21(13-15-6-3-2-4-7-15)17-8-5-11-18(12-17,14-19)20-16-9-10-16/h15-17,20H,2-13H2,1H3.
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile has a molecular weight of 289.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79626858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).