2-bromopropane-1,3-diamine;dihydrobromide

C3H11Br3N2 — CID 517709

IUPAC2-bromopropane-1,3-diamine;dihydrobromide
SMILESBr.Br.NCC(Br)CN
InChIInChI=1S/C3H9BrN2.2BrH/c4-3(1-5)2-6;;/h3H,1-2,5-6H2;2*1H
InChIKeyWRUBPFGIQCAWBB-UHFFFAOYSA-N
MW314.85 g/mol
LogP0.82
Rot. Bonds2

About 2-bromopropane-1,3-diamine;dihydrobromide

2-bromopropane-1,3-diamine;dihydrobromide (PubChem CID 517709) has the molecular formula C3H11Br3N2 and a molecular weight of 314.85 g/mol. Its IUPAC name is 2-bromopropane-1,3-diamine;dihydrobromide.

Molecular Properties

Compound Name2-bromopropane-1,3-diamine;dihydrobromide
PubChem CID517709
Molecular FormulaC3H11Br3N2
Molecular Weight314.85 g/mol
Exact Mass311.85
IUPAC Name2-bromopropane-1,3-diamine;dihydrobromide
SMILESBr.Br.NCC(Br)CN
InChIInChI=1S/C3H9BrN2.2BrH/c4-3(1-5)2-6;;/h3H,1-2,5-6H2;2*1H
InChIKeyWRUBPFGIQCAWBB-UHFFFAOYSA-N
XLogP0.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.85
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-methylpropan-1-amine;dihydrobromide
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2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
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2-bromoethanamine;hydrobromide
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2-N-methylpropane-1,2,3-triamine
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CID 166967667
3-bromo-4-methoxybutan-1-amine
CID 106245357
3-bromo-2-nitrosobutan-1-amine
CID 89086389
6-amino-2-bromohexan-1-ol
CID 110189651
2-chlorobutane-1,4-diamine
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CID 173495711
CID 173495711

Frequently Asked Questions

What is the IUPAC name of 2-bromopropane-1,3-diamine;dihydrobromide?
The IUPAC name of 2-bromopropane-1,3-diamine;dihydrobromide (CID 517709) is 2-bromopropane-1,3-diamine;dihydrobromide.
What is the SMILES notation for 2-bromopropane-1,3-diamine;dihydrobromide?
The canonical SMILES for 2-bromopropane-1,3-diamine;dihydrobromide is Br.Br.NCC(Br)CN.
What is the InChIKey of 2-bromopropane-1,3-diamine;dihydrobromide?
The InChIKey is WRUBPFGIQCAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BrN2.2BrH/c4-3(1-5)2-6;;/h3H,1-2,5-6H2;2*1H.
What are the key properties of 2-bromopropane-1,3-diamine;dihydrobromide?
2-bromopropane-1,3-diamine;dihydrobromide has a molecular weight of 314.85 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropane-1,3-diamine;dihydrobromide is sourced from PubChem (CID 517709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).