1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride

C8H19Cl2NO — CID 69200571

IUPAC1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
SMILESCNC1CCCCC1(C)O.Cl.Cl
InChIInChI=1S/C8H17NO.2ClH/c1-8(10)6-4-3-5-7(8)9-2;;/h7,9-10H,3-6H2,1-2H3;2*1H
InChIKeyBXHLFUWFWQJVBS-UHFFFAOYSA-N
MW216.15 g/mol
LogP1.74
Rot. Bonds1

About 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride

1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride (PubChem CID 69200571) has the molecular formula C8H19Cl2NO and a molecular weight of 216.15 g/mol. Its IUPAC name is 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
PubChem CID69200571
Molecular FormulaC8H19Cl2NO
Molecular Weight216.15 g/mol
Exact Mass215.08
IUPAC Name1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
SMILESCNC1CCCCC1(C)O.Cl.Cl
InChIInChI=1S/C8H17NO.2ClH/c1-8(10)6-4-3-5-7(8)9-2;;/h7,9-10H,3-6H2,1-2H3;2*1H
InChIKeyBXHLFUWFWQJVBS-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
trans-(1R,2S)-2-(methoxyamino)-1-methylcyclohexan-1-ol
CID 11819318
2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 172765796
N-methylspiro[5.5]undecan-5-amine
CID 83906634
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
cis-(1R,2R)-2-(ethylamino)-1-methylcyclopentan-1-ol
CID 166556336
2-[(2,2-dimethylcyclobutyl)amino]-1-methylcyclopentan-1-ol
CID 130555925
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
2-(2-aminoethylamino)-1-methylcyclopentan-1-ol
CID 130532234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride (CID 69200571) is 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride is CNC1CCCCC1(C)O.Cl.Cl.
What is the InChIKey of 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride?
The InChIKey is BXHLFUWFWQJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.2ClH/c1-8(10)6-4-3-5-7(8)9-2;;/h7,9-10H,3-6H2,1-2H3;2*1H.
What are the key properties of 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride?
1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride has a molecular weight of 216.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 69200571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).