2-methylpropan-1-amine;dihydrobromide

C4H13Br2N — CID 172812560

IUPAC2-methylpropan-1-amine;dihydrobromide
SMILESBr.Br.CC(C)CN
InChIInChI=1S/C4H11N.2BrH/c1-4(2)3-5;;/h4H,3,5H2,1-2H3;2*1H
InChIKeySJOIBXMREOFPMI-UHFFFAOYSA-N
MW234.96 g/mol
LogP1.76
Rot. Bonds1

About 2-methylpropan-1-amine;dihydrobromide

2-methylpropan-1-amine;dihydrobromide (PubChem CID 172812560) has the molecular formula C4H13Br2N and a molecular weight of 234.96 g/mol. Its IUPAC name is 2-methylpropan-1-amine;dihydrobromide.

Molecular Properties

Compound Name2-methylpropan-1-amine;dihydrobromide
PubChem CID172812560
Molecular FormulaC4H13Br2N
Molecular Weight234.96 g/mol
Exact Mass232.94
IUPAC Name2-methylpropan-1-amine;dihydrobromide
SMILESBr.Br.CC(C)CN
InChIInChI=1S/C4H11N.2BrH/c1-4(2)3-5;;/h4H,3,5H2,1-2H3;2*1H
InChIKeySJOIBXMREOFPMI-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.96
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-amine;dihydrobromide?
The IUPAC name of 2-methylpropan-1-amine;dihydrobromide (CID 172812560) is 2-methylpropan-1-amine;dihydrobromide.
What is the SMILES notation for 2-methylpropan-1-amine;dihydrobromide?
The canonical SMILES for 2-methylpropan-1-amine;dihydrobromide is Br.Br.CC(C)CN.
What is the InChIKey of 2-methylpropan-1-amine;dihydrobromide?
The InChIKey is SJOIBXMREOFPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.2BrH/c1-4(2)3-5;;/h4H,3,5H2,1-2H3;2*1H.
What are the key properties of 2-methylpropan-1-amine;dihydrobromide?
2-methylpropan-1-amine;dihydrobromide has a molecular weight of 234.96 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-amine;dihydrobromide is sourced from PubChem (CID 172812560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).