1-chloro-1-cyclohexyl-N-methylmethanamine

C8H16ClN — CID 116962166

IUPAC1-chloro-1-cyclohexyl-N-methylmethanamine
SMILESCNC(Cl)C1CCCCC1
InChIInChI=1S/C8H16ClN/c1-10-8(9)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3
InChIKeyCKDWMZCAPULXIK-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.35
Rot. Bonds2

About 1-chloro-1-cyclohexyl-N-methylmethanamine

1-chloro-1-cyclohexyl-N-methylmethanamine (PubChem CID 116962166) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 1-chloro-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-chloro-1-cyclohexyl-N-methylmethanamine
PubChem CID116962166
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name1-chloro-1-cyclohexyl-N-methylmethanamine
SMILESCNC(Cl)C1CCCCC1
InChIInChI=1S/C8H16ClN/c1-10-8(9)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3
InChIKeyCKDWMZCAPULXIK-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl(methylamino)methanethiol
CID 116954590
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
1-chloroethylcyclododecane
CID 66468842
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
cyclohexane;dichloromethylcyclohexane
CID 118430501
(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol
CID 143031669
CID 174647360
CID 174647360
1-cyclohexyl-2,2-difluoro-N-methylethanamine
CID 80606050
1-cyclopentyl-N-methylethanamine;ethane
CID 142106515
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-chloro-1-cyclohexyl-N-methylmethanamine (CID 116962166) is 1-chloro-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-chloro-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-chloro-1-cyclohexyl-N-methylmethanamine is CNC(Cl)C1CCCCC1.
What is the InChIKey of 1-chloro-1-cyclohexyl-N-methylmethanamine?
The InChIKey is CKDWMZCAPULXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-10-8(9)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-chloro-1-cyclohexyl-N-methylmethanamine?
1-chloro-1-cyclohexyl-N-methylmethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 116962166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).