3-bromo-N,N-bis(3-bromopropyl)propan-1-amine

C9H18Br3N — CID 15901499

IUPAC3-bromo-N,N-bis(3-bromopropyl)propan-1-amine
SMILESBrCCCN(CCCBr)CCCBr
InChIInChI=1S/C9H18Br3N/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-9H2
InChIKeyCHECPFFWYRKRNI-UHFFFAOYSA-N
MW379.96 g/mol
LogP3.64
Rot. Bonds9

About 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine

3-bromo-N,N-bis(3-bromopropyl)propan-1-amine (PubChem CID 15901499) has the molecular formula C9H18Br3N and a molecular weight of 379.96 g/mol. Its IUPAC name is 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N,N-bis(3-bromopropyl)propan-1-amine
PubChem CID15901499
Molecular FormulaC9H18Br3N
Molecular Weight379.96 g/mol
Exact Mass376.90
IUPAC Name3-bromo-N,N-bis(3-bromopropyl)propan-1-amine
SMILESBrCCCN(CCCBr)CCCBr
InChIInChI=1S/C9H18Br3N/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-9H2
InChIKeyCHECPFFWYRKRNI-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 53.64
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,N-bis(3-bromopropyl)propan-1-amine?
The IUPAC name of 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine (CID 15901499) is 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine?
The canonical SMILES for 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine is BrCCCN(CCCBr)CCCBr.
What is the InChIKey of 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine?
The InChIKey is CHECPFFWYRKRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br3N/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-9H2.
What are the key properties of 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine?
3-bromo-N,N-bis(3-bromopropyl)propan-1-amine has a molecular weight of 379.96 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(3-bromopropyl)propan-1-amine is sourced from PubChem (CID 15901499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).