1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile

C15H27N3O — CID 79625056

IUPAC1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N(C)CC2CCCO2)C1
InChIInChI=1S/C15H27N3O/c1-3-17-15(12-16)8-4-6-13(10-15)18(2)11-14-7-5-9-19-14/h13-14,17H,3-11H2,1-2H3
InChIKeyGQEXUPIDWCPKLK-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds5

About 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile

1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 79625056) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
PubChem CID79625056
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N(C)CC2CCCO2)C1
InChIInChI=1S/C15H27N3O/c1-3-17-15(12-16)8-4-6-13(10-15)18(2)11-14-7-5-9-19-14/h13-14,17H,3-11H2,1-2H3
InChIKeyGQEXUPIDWCPKLK-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-[methyl(oxan-2-ylmethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626843
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 106495474
[1-(ethylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79657043
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627220
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 82748855
3-[methyl(oxan-4-ylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639785
1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
CID 79625966
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile (CID 79625056) is 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N(C)CC2CCCO2)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is GQEXUPIDWCPKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-17-15(12-16)8-4-6-13(10-15)18(2)11-14-7-5-9-19-14/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]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 1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).