3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile

C14H26N2 — CID 64737955

IUPAC3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2/c1-5-16(10-11(2)9-15)14-7-6-12(3)13(4)8-14/h11-14H,5-8,10H2,1-4H3
InChIKeyGGQTZVFNVQYHDL-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.29
Rot. Bonds4

About 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile

3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 64737955) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
PubChem CID64737955
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2/c1-5-16(10-11(2)9-15)14-7-6-12(3)13(4)8-14/h11-14H,5-8,10H2,1-4H3
InChIKeyGGQTZVFNVQYHDL-UHFFFAOYSA-N
XLogP3.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-aminocyclobutyl)-ethylamino]-2-methylpropanenitrile
CID 80561795
3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
CID 63557953
3-(diethylamino)cyclopentane-1-carbonitrile
CID 66607026
3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile
CID 79717053
3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 77054341
2-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanenitrile
CID 114762118
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
3-[ethyl-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]-2-methylpropanenitrile
CID 111106165
3-[[2-cyanopropyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 54988632
3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106632376
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile (CID 64737955) is 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)C1CCC(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is GGQTZVFNVQYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-16(10-11(2)9-15)14-7-6-12(3)13(4)8-14/h11-14H,5-8,10H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 64737955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).