4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine

C12H22ClN — CID 130601573

IUPAC4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCC1(CNC2CCC(Cl)CC2)CCC1
InChIInChI=1S/C12H22ClN/c1-12(7-2-8-12)9-14-11-5-3-10(13)4-6-11/h10-11,14H,2-9H2,1H3
InChIKeyVVXIJFUVVFRCBL-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine

4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine (PubChem CID 130601573) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
PubChem CID130601573
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCC1(CNC2CCC(Cl)CC2)CCC1
InChIInChI=1S/C12H22ClN/c1-12(7-2-8-12)9-14-11-5-3-10(13)4-6-11/h10-11,14H,2-9H2,1H3
InChIKeyVVXIJFUVVFRCBL-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.32
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

4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419
4-[(cyclopropylamino)methyl]-4-methylcyclohexan-1-ol
CID 130531645
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
CID 130635070
2,2,3,3-tetramethyl-N-[(1-methylcyclobutyl)methyl]cyclopropan-1-amine
CID 130601051
3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde
CID 138711698
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
CID 103903178
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine (CID 130601573) is 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine is CC1(CNC2CCC(Cl)CC2)CCC1.
What is the InChIKey of 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
The InChIKey is VVXIJFUVVFRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-12(7-2-8-12)9-14-11-5-3-10(13)4-6-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 130601573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).