3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile

C15H29N3 — CID 79625630

IUPAC3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCCN(C)C1CCCC(C#N)(NCCC)C1
InChIInChI=1S/C15H29N3/c1-4-6-11-18(3)14-8-7-9-15(12-14,13-16)17-10-5-2/h14,17H,4-12H2,1-3H3
InChIKeyZSTUFXZNQVGKPV-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.92
Rot. Bonds7

About 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile

3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 79625630) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID79625630
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCCN(C)C1CCCC(C#N)(NCCC)C1
InChIInChI=1S/C15H29N3/c1-4-6-11-18(3)14-8-7-9-15(12-14,13-16)17-10-5-2/h14,17H,4-12H2,1-3H3
InChIKeyZSTUFXZNQVGKPV-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(2-methylsulfonylethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79858170
3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527
3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626086
3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638526
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-[methyl(oxan-2-ylmethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626843
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 82748855
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 81061361
3-[butan-2-yl(2-methoxyethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628582
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile (CID 79625630) is 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile is CCCCN(C)C1CCCC(C#N)(NCCC)C1.
What is the InChIKey of 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is ZSTUFXZNQVGKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-6-11-18(3)14-8-7-9-15(12-14,13-16)17-10-5-2/h14,17H,4-12H2,1-3H3.
What are the key properties of 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 251.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).