N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine

C13H26BrN — CID 65011178

IUPACN-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
SMILESCCCC(CBr)CN(C)C1CCCCC1
InChIInChI=1S/C13H26BrN/c1-3-7-12(10-14)11-15(2)13-8-5-4-6-9-13/h12-13H,3-11H2,1-2H3
InChIKeyBZQSBXIBYAKJPA-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine

N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine (PubChem CID 65011178) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
PubChem CID65011178
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC NameN-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
SMILESCCCC(CBr)CN(C)C1CCCCC1
InChIInChI=1S/C13H26BrN/c1-3-7-12(10-14)11-15(2)13-8-5-4-6-9-13/h12-13H,3-11H2,1-2H3
InChIKeyBZQSBXIBYAKJPA-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
CID 65011242
N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65011364
N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine
CID 65011181
N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine
CID 82749590
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylpentan-1-amine
CID 65011250
N-cycloheptyl-N,2-dimethylbutane-1,4-diamine
CID 80544341

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine (CID 65011178) is N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine is CCCC(CBr)CN(C)C1CCCCC1.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine?
The InChIKey is BZQSBXIBYAKJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-3-7-12(10-14)11-15(2)13-8-5-4-6-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine?
N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine has a molecular weight of 276.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine is sourced from PubChem (CID 65011178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).