N-(4-bromobutyl)-N,3-dimethylbutan-2-amine

C10H22BrN — CID 61287760

IUPACN-(4-bromobutyl)-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CCCCBr
InChIInChI=1S/C10H22BrN/c1-9(2)10(3)12(4)8-6-5-7-11/h9-10H,5-8H2,1-4H3
InChIKeyASBKKNCQGLHXSH-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.14
Rot. Bonds6

About N-(4-bromobutyl)-N,3-dimethylbutan-2-amine

N-(4-bromobutyl)-N,3-dimethylbutan-2-amine (PubChem CID 61287760) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is N-(4-bromobutyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(4-bromobutyl)-N,3-dimethylbutan-2-amine
PubChem CID61287760
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC NameN-(4-bromobutyl)-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CCCCBr
InChIInChI=1S/C10H22BrN/c1-9(2)10(3)12(4)8-6-5-7-11/h9-10H,5-8H2,1-4H3
InChIKeyASBKKNCQGLHXSH-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromobutyl)-N,3-dimethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of N-(4-bromobutyl)-N,3-dimethylbutan-2-amine (CID 61287760) is N-(4-bromobutyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(4-bromobutyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-(4-bromobutyl)-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)CCCCBr.
What is the InChIKey of N-(4-bromobutyl)-N,3-dimethylbutan-2-amine?
The InChIKey is ASBKKNCQGLHXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-9(2)10(3)12(4)8-6-5-7-11/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(4-bromobutyl)-N,3-dimethylbutan-2-amine?
N-(4-bromobutyl)-N,3-dimethylbutan-2-amine has a molecular weight of 236.20 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 61287760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).