4-(5-bromopentyl)-N-methylcyclohexan-1-amine

C12H24BrN — CID 22567858

IUPAC4-(5-bromopentyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CCCCCBr)CC1
InChIInChI=1S/C12H24BrN/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h11-12,14H,2-10H2,1H3
InChIKeySZTSZIRBWYGVNF-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.72
Rot. Bonds6

About 4-(5-bromopentyl)-N-methylcyclohexan-1-amine

4-(5-bromopentyl)-N-methylcyclohexan-1-amine (PubChem CID 22567858) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-(5-bromopentyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-bromopentyl)-N-methylcyclohexan-1-amine
PubChem CID22567858
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name4-(5-bromopentyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CCCCCBr)CC1
InChIInChI=1S/C12H24BrN/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h11-12,14H,2-10H2,1H3
InChIKeySZTSZIRBWYGVNF-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(5-bromopentyl)-N-methylcyclohexan-1-amine (CID 22567858) is 4-(5-bromopentyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(5-bromopentyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(5-bromopentyl)-N-methylcyclohexan-1-amine is CNC1CCC(CCCCCBr)CC1.
What is the InChIKey of 4-(5-bromopentyl)-N-methylcyclohexan-1-amine?
The InChIKey is SZTSZIRBWYGVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-(5-bromopentyl)-N-methylcyclohexan-1-amine?
4-(5-bromopentyl)-N-methylcyclohexan-1-amine has a molecular weight of 262.23 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 22567858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).