N'-(3-bromopropyl)butane-1,4-diamine

C7H17BrN2 — CID 14952179

IUPACN'-(3-bromopropyl)butane-1,4-diamine
SMILESNCCCCNCCCBr
InChIInChI=1S/C7H17BrN2/c8-4-3-7-10-6-2-1-5-9/h10H,1-7,9H2
InChIKeyHWSRBLNJUAPYEM-UHFFFAOYSA-N
MW209.13 g/mol
LogP1.10
Rot. Bonds7

About N'-(3-bromopropyl)butane-1,4-diamine

N'-(3-bromopropyl)butane-1,4-diamine (PubChem CID 14952179) has the molecular formula C7H17BrN2 and a molecular weight of 209.13 g/mol. Its IUPAC name is N'-(3-bromopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-bromopropyl)butane-1,4-diamine
PubChem CID14952179
Molecular FormulaC7H17BrN2
Molecular Weight209.13 g/mol
Exact Mass208.06
IUPAC NameN'-(3-bromopropyl)butane-1,4-diamine
SMILESNCCCCNCCCBr
InChIInChI=1S/C7H17BrN2/c8-4-3-7-10-6-2-1-5-9/h10H,1-7,9H2
InChIKeyHWSRBLNJUAPYEM-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromopropyl)butane-1,4-diamine?
The IUPAC name of N'-(3-bromopropyl)butane-1,4-diamine (CID 14952179) is N'-(3-bromopropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3-bromopropyl)butane-1,4-diamine?
The canonical SMILES for N'-(3-bromopropyl)butane-1,4-diamine is NCCCCNCCCBr.
What is the InChIKey of N'-(3-bromopropyl)butane-1,4-diamine?
The InChIKey is HWSRBLNJUAPYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BrN2/c8-4-3-7-10-6-2-1-5-9/h10H,1-7,9H2.
What are the key properties of N'-(3-bromopropyl)butane-1,4-diamine?
N'-(3-bromopropyl)butane-1,4-diamine has a molecular weight of 209.13 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromopropyl)butane-1,4-diamine is sourced from PubChem (CID 14952179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).