3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile

C17H34N4 — CID 79626199

IUPAC3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N(CCN(C)C)CC(C)C)C1
InChIInChI=1S/C17H34N4/c1-6-19-17(14-18)9-7-8-16(12-17)21(13-15(2)3)11-10-20(4)5/h15-16,19H,6-13H2,1-5H3
InChIKeyUNSQLZUBBFFNGJ-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.32
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 79626199) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID79626199
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N(CCN(C)C)CC(C)C)C1
InChIInChI=1S/C17H34N4/c1-6-19-17(14-18)9-7-8-16(12-17)21(13-15(2)3)11-10-20(4)5/h15-16,19H,6-13H2,1-5H3
InChIKeyUNSQLZUBBFFNGJ-UHFFFAOYSA-N
XLogP2.32
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625202
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625824

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile (CID 79626199) is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N(CCN(C)C)CC(C)C)C1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is UNSQLZUBBFFNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-6-19-17(14-18)9-7-8-16(12-17)21(13-15(2)3)11-10-20(4)5/h15-16,19H,6-13H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile?
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 294.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79626199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).