4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride

C9H17ClN2 — CID 74889891

IUPAC4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
SMILESCNC1(C#N)CCC(C)CC1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-8-3-5-9(7-10,11-2)6-4-8;/h8,11H,3-6H2,1-2H3;1H
InChIKeyFAVTXUAVYBTLCO-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.10
Rot. Bonds1

About 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride

4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride (PubChem CID 74889891) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
PubChem CID74889891
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
SMILESCNC1(C#N)CCC(C)CC1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-8-3-5-9(7-10,11-2)6-4-8;/h8,11H,3-6H2,1-2H3;1H
InChIKeyFAVTXUAVYBTLCO-UHFFFAOYSA-N
XLogP2.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
CID 65085150
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide
CID 130834489
methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
CID 28702826
1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 117039603
4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 117039611
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(2-azidoethylamino)-4-methylcyclohexane-1-carbonitrile
CID 66189386
4-[3,3-dimethylbutyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 117039629
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile
CID 70850405

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride?
The IUPAC name of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride (CID 74889891) is 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride?
The canonical SMILES for 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride is CNC1(C#N)CCC(C)CC1.Cl.
What is the InChIKey of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride?
The InChIKey is FAVTXUAVYBTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-8-3-5-9(7-10,11-2)6-4-8;/h8,11H,3-6H2,1-2H3;1H.
What are the key properties of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride?
4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 74889891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).