3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile

C15H27N3 — CID 79626086

IUPAC3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N(CC)C2CC2)C1
InChIInChI=1S/C15H27N3/c1-3-10-17-15(12-16)9-5-6-14(11-15)18(4-2)13-7-8-13/h13-14,17H,3-11H2,1-2H3
InChIKeyUKYOZVHVRAJAHB-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.68
Rot. Bonds6

About 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile

3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 79626086) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID79626086
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N(CC)C2CC2)C1
InChIInChI=1S/C15H27N3/c1-3-10-17-15(12-16)9-5-6-14(11-15)18(4-2)13-7-8-13/h13-14,17H,3-11H2,1-2H3
InChIKeyUKYOZVHVRAJAHB-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopentyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79624977
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 82748855
3-[methyl(2-methylsulfonylethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79858170
3-[butan-2-yl(2-methoxyethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628582
3-[methyl(oxan-2-ylmethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626843
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile (CID 79626086) is 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(N(CC)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is UKYOZVHVRAJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-10-17-15(12-16)9-5-6-14(11-15)18(4-2)13-7-8-13/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79626086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).