3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide

C9H19Br2N3 — CID 17139034

IUPAC3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
SMILESBr.Br.CC(C)c1nccn1CCCN
InChIInChI=1S/C9H17N3.2BrH/c1-8(2)9-11-5-7-12(9)6-3-4-10;;/h5,7-8H,3-4,6,10H2,1-2H3;2*1H
InChIKeyLJWVMXCYCBOKCG-UHFFFAOYSA-N
MW329.08 g/mol
LogP2.51
Rot. Bonds4

About 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide

3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide (PubChem CID 17139034) has the molecular formula C9H19Br2N3 and a molecular weight of 329.08 g/mol. Its IUPAC name is 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide.

Molecular Properties

Compound Name3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
PubChem CID17139034
Molecular FormulaC9H19Br2N3
Molecular Weight329.08 g/mol
Exact Mass326.99
IUPAC Name3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
SMILESBr.Br.CC(C)c1nccn1CCCN
InChIInChI=1S/C9H17N3.2BrH/c1-8(2)9-11-5-7-12(9)6-3-4-10;;/h5,7-8H,3-4,6,10H2,1-2H3;2*1H
InChIKeyLJWVMXCYCBOKCG-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11506521
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3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
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(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide?
The IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide (CID 17139034) is 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide.
What is the SMILES notation for 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide?
The canonical SMILES for 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide is Br.Br.CC(C)c1nccn1CCCN.
What is the InChIKey of 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide?
The InChIKey is LJWVMXCYCBOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.2BrH/c1-8(2)9-11-5-7-12(9)6-3-4-10;;/h5,7-8H,3-4,6,10H2,1-2H3;2*1H.
What are the key properties of 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide?
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide has a molecular weight of 329.08 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide is sourced from PubChem (CID 17139034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).