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

C15H27N3O — CID 82748855

IUPAC3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N(C)C2CCOC2)C1
InChIInChI=1S/C15H27N3O/c1-3-8-17-15(12-16)7-4-5-13(10-15)18(2)14-6-9-19-11-14/h13-14,17H,3-11H2,1-2H3
InChIKeyVXRFHQGPCKYKCT-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds5

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

3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 82748855) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID82748855
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N(C)C2CCOC2)C1
InChIInChI=1S/C15H27N3O/c1-3-8-17-15(12-16)7-4-5-13(10-15)18(2)14-6-9-19-11-14/h13-14,17H,3-11H2,1-2H3
InChIKeyVXRFHQGPCKYKCT-UHFFFAOYSA-N
XLogP1.91
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 103727912
3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626086
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
3-[methyl(oxan-2-ylmethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626843
3-[methyl(oxan-4-ylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639785
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639909
3-[methyl(2-methylsulfonylethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79858170
3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625408
3-[butan-2-yl(2-methoxyethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628582
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile (CID 82748855) is 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(N(C)C2CCOC2)C1.
What is the InChIKey of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is VXRFHQGPCKYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-17-15(12-16)7-4-5-13(10-15)18(2)14-6-9-19-11-14/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile?
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 265.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 82748855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).