3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine

C11H24BrN — CID 64999998

IUPAC3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
SMILESCC(C)CCN(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrN/c1-10(2)6-7-13(5)9-11(3,4)8-12/h10H,6-9H2,1-5H3
InChIKeyGMJNPBCVHIXBKC-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.39
Rot. Bonds6

About 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine

3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine (PubChem CID 64999998) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
PubChem CID64999998
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC Name3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
SMILESCC(C)CCN(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrN/c1-10(2)6-7-13(5)9-11(3,4)8-12/h10H,6-9H2,1-5H3
InChIKeyGMJNPBCVHIXBKC-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine?
The IUPAC name of 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine (CID 64999998) is 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine?
The canonical SMILES for 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine is CC(C)CCN(C)CC(C)(C)CBr.
What is the InChIKey of 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine?
The InChIKey is GMJNPBCVHIXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN/c1-10(2)6-7-13(5)9-11(3,4)8-12/h10H,6-9H2,1-5H3.
What are the key properties of 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine?
3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine has a molecular weight of 250.22 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine is sourced from PubChem (CID 64999998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).