5-bromo-N-(3-methylbutyl)pentan-1-amine

C10H22BrN — CID 107320246

IUPAC5-bromo-N-(3-methylbutyl)pentan-1-amine
SMILESCC(C)CCNCCCCCBr
InChIInChI=1S/C10H22BrN/c1-10(2)6-9-12-8-5-3-4-7-11/h10,12H,3-9H2,1-2H3
InChIKeyNRLULMWGYTYXLQ-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.19
Rot. Bonds8

About 5-bromo-N-(3-methylbutyl)pentan-1-amine

5-bromo-N-(3-methylbutyl)pentan-1-amine (PubChem CID 107320246) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-bromo-N-(3-methylbutyl)pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methylbutyl)pentan-1-amine
PubChem CID107320246
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC Name5-bromo-N-(3-methylbutyl)pentan-1-amine
SMILESCC(C)CCNCCCCCBr
InChIInChI=1S/C10H22BrN/c1-10(2)6-9-12-8-5-3-4-7-11/h10,12H,3-9H2,1-2H3
InChIKeyNRLULMWGYTYXLQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.19
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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Related Compounds

N-(3-methylbutyl)heptan-1-amine
CID 22348867
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-bromo-11-methyldodecane
CID 15569727
1-bromo-20-methylhenicosane
CID 10982010
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 107844233
5-bromo-N-pentylpentan-1-amine
CID 107320303
N-(5-bromopentyl)octan-1-amine
CID 107320236
6-bromo-N-pentylhexan-1-amine
CID 107844161
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-(3-chloropropyl)-3-methylbutan-1-amine
CID 60668752

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylbutyl)pentan-1-amine?
The IUPAC name of 5-bromo-N-(3-methylbutyl)pentan-1-amine (CID 107320246) is 5-bromo-N-(3-methylbutyl)pentan-1-amine.
What is the SMILES notation for 5-bromo-N-(3-methylbutyl)pentan-1-amine?
The canonical SMILES for 5-bromo-N-(3-methylbutyl)pentan-1-amine is CC(C)CCNCCCCCBr.
What is the InChIKey of 5-bromo-N-(3-methylbutyl)pentan-1-amine?
The InChIKey is NRLULMWGYTYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-10(2)6-9-12-8-5-3-4-7-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 5-bromo-N-(3-methylbutyl)pentan-1-amine?
5-bromo-N-(3-methylbutyl)pentan-1-amine has a molecular weight of 236.20 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylbutyl)pentan-1-amine is sourced from PubChem (CID 107320246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).