(1R)-3-chloro-N-methylcyclohexan-1-amine

C7H14ClN — CID 134365842

IUPAC(1R)-3-chloro-N-methylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC(Cl)C1
InChIInChI=1S/C7H14ClN/c1-9-7-4-2-3-6(8)5-7/h6-7,9H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyPKNOYMLCNPSIHR-COBSHVIPSA-N
MW147.65 g/mol
LogP1.76
Rot. Bonds1

About (1R)-3-chloro-N-methylcyclohexan-1-amine

(1R)-3-chloro-N-methylcyclohexan-1-amine (PubChem CID 134365842) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (1R)-3-chloro-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-3-chloro-N-methylcyclohexan-1-amine
PubChem CID134365842
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(1R)-3-chloro-N-methylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC(Cl)C1
InChIInChI=1S/C7H14ClN/c1-9-7-4-2-3-6(8)5-7/h6-7,9H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyPKNOYMLCNPSIHR-COBSHVIPSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
N,3-dimethylcyclohexan-1-amine
CID 16771259
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040
3-(methylamino)cyclohexan-1-ol;hydrochloride
CID 138108510
trans-(1S,3S)-1-N,1-N,3-N-trimethylcyclohexane-1,3-diamine
CID 139514025
(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
CID 134343911
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine
CID 54196877
3-[3-(2-methoxyethoxy)propyl]-N-methylcyclohexan-1-amine
CID 103413672

Frequently Asked Questions

What is the IUPAC name of (1R)-3-chloro-N-methylcyclohexan-1-amine?
The IUPAC name of (1R)-3-chloro-N-methylcyclohexan-1-amine (CID 134365842) is (1R)-3-chloro-N-methylcyclohexan-1-amine.
What is the SMILES notation for (1R)-3-chloro-N-methylcyclohexan-1-amine?
The canonical SMILES for (1R)-3-chloro-N-methylcyclohexan-1-amine is CN[C@@H]1CCCC(Cl)C1.
What is the InChIKey of (1R)-3-chloro-N-methylcyclohexan-1-amine?
The InChIKey is PKNOYMLCNPSIHR-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14ClN/c1-9-7-4-2-3-6(8)5-7/h6-7,9H,2-5H2,1H3/t6?,7-/m1/s1.
What are the key properties of (1R)-3-chloro-N-methylcyclohexan-1-amine?
(1R)-3-chloro-N-methylcyclohexan-1-amine has a molecular weight of 147.65 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-chloro-N-methylcyclohexan-1-amine is sourced from PubChem (CID 134365842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).