3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride

C6H13Cl2N3 — CID 11970499

IUPAC3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1cnc[nH]1
InChIInChI=1S/C6H11N3.2ClH/c7-3-1-2-6-4-8-5-9-6;;/h4-5H,1-3,7H2,(H,8,9);2*1H
InChIKeyBVCJGQPOOTXNQC-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.14
Rot. Bonds3

About 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride

3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride (PubChem CID 11970499) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
PubChem CID11970499
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1cnc[nH]1
InChIInChI=1S/C6H11N3.2ClH/c7-3-1-2-6-4-8-5-9-6;;/h4-5H,1-3,7H2,(H,8,9);2*1H
InChIKeyBVCJGQPOOTXNQC-UHFFFAOYSA-N
XLogP1.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Burimamide
CID 3032915
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168
2-Methylhistamine
CID 91613

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride (CID 11970499) is 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
The InChIKey is BVCJGQPOOTXNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c7-3-1-2-6-4-8-5-9-6;;/h4-5H,1-3,7H2,(H,8,9);2*1H.
What are the key properties of 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride?
3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 11970499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).