3-cyclohexyl-N-methylhexan-2-amine;hydrochloride

C13H28ClN — CID 163567142

IUPAC3-cyclohexyl-N-methylhexan-2-amine;hydrochloride
SMILESCCCC(C1CCCCC1)C(C)NC.Cl
InChIInChI=1S/C13H27N.ClH/c1-4-8-13(11(2)14-3)12-9-6-5-7-10-12;/h11-14H,4-10H2,1-3H3;1H
InChIKeyFWECJUKAKWRCLW-UHFFFAOYSA-N
MW233.83 g/mol
LogP4.01
Rot. Bonds5

About 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride

3-cyclohexyl-N-methylhexan-2-amine;hydrochloride (PubChem CID 163567142) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-N-methylhexan-2-amine;hydrochloride
PubChem CID163567142
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Name3-cyclohexyl-N-methylhexan-2-amine;hydrochloride
SMILESCCCC(C1CCCCC1)C(C)NC.Cl
InChIInChI=1S/C13H27N.ClH/c1-4-8-13(11(2)14-3)12-9-6-5-7-10-12;/h11-14H,4-10H2,1-3H3;1H
InChIKeyFWECJUKAKWRCLW-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
2-methyloctan-3-ylcycloheptane
CID 123273196
ethane;pentan-2-ylcyclohexane
CID 143225886
butane;pentan-2-ylcyclohexane
CID 143682251
2-cycloheptyl-N-methylpentan-1-amine
CID 82932063
2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine
CID 151929616
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine
CID 170003941
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
CID 116718958

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride?
The IUPAC name of 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride (CID 163567142) is 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride?
The canonical SMILES for 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride is CCCC(C1CCCCC1)C(C)NC.Cl.
What is the InChIKey of 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride?
The InChIKey is FWECJUKAKWRCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.ClH/c1-4-8-13(11(2)14-3)12-9-6-5-7-10-12;/h11-14H,4-10H2,1-3H3;1H.
What are the key properties of 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride?
3-cyclohexyl-N-methylhexan-2-amine;hydrochloride has a molecular weight of 233.83 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methylhexan-2-amine;hydrochloride is sourced from PubChem (CID 163567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).