2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C12H22ClN — CID 106365327

IUPAC2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1CCCCC1CCl
InChIInChI=1S/C12H22ClN/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h7,11-12,14H,3-6,8-9H2,1-2H3
InChIKeyPGXUBQPVOQCQKR-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.34
Rot. Bonds4

About 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine

2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 106365327) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID106365327
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1CCCCC1CCl
InChIInChI=1S/C12H22ClN/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h7,11-12,14H,3-6,8-9H2,1-2H3
InChIKeyPGXUBQPVOQCQKR-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 60688914
N-[(2-chlorocyclohexyl)methyl]prop-2-en-1-amine
CID 65024684
1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine
CID 65030199
N-(2,3-dichloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 79167148
N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
CID 79167923
N-[(E)-4-chlorobut-2-enyl]-2-methylcyclohexan-1-amine
CID 81429108
N-[(E)-4-chlorobut-2-enyl]-1-methylcyclohexan-1-amine
CID 81429126
N-[(E)-4-chlorobut-2-enyl]-2,2-dimethylcyclohexan-1-amine
CID 81429684
(E)-4-chloro-N-(1-cyclohexylethyl)but-2-en-1-amine
CID 81429809
(E)-4-chloro-N-[(1S)-1-cyclohexylethyl]but-2-en-1-amine
CID 81429829
(E)-4-chloro-N-[(1R)-1-cyclohexylethyl]but-2-en-1-amine
CID 81429830
N-[(E)-4-chlorobut-2-enyl]-3-methylcyclohexan-1-amine
CID 81429926

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 106365327) is 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine is CC(C)=CCNC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is PGXUBQPVOQCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h7,11-12,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 106365327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).