5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine

C13H24ClN — CID 164649744

IUPAC5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CC(Cl)CC(NCC2CCC2)C1
InChIInChI=1S/C13H24ClN/c1-13(2)7-11(14)6-12(8-13)15-9-10-4-3-5-10/h10-12,15H,3-9H2,1-2H3
InChIKeyKWBIZVDKGVCXEF-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine

5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine (PubChem CID 164649744) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine
PubChem CID164649744
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CC(Cl)CC(NCC2CCC2)C1
InChIInChI=1S/C13H24ClN/c1-13(2)7-11(14)6-12(8-13)15-9-10-4-3-5-10/h10-12,15H,3-9H2,1-2H3
InChIKeyKWBIZVDKGVCXEF-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.56
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

N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
CID 79956232
5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 164649735
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 113263610
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
CID 103699452
N-(cyclohexylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182326
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine (CID 164649744) is 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine is CC1(C)CC(Cl)CC(NCC2CCC2)C1.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine?
The InChIKey is KWBIZVDKGVCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c1-13(2)7-11(14)6-12(8-13)15-9-10-4-3-5-10/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine?
5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine has a molecular weight of 229.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 164649744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).