3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride

C7H15Cl2N3 — CID 70510489

IUPAC3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride
SMILESCc1cn(CCCN)cn1.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-7-5-10(6-9-7)4-2-3-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyTZPZKIIWQSTVSH-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.38
Rot. Bonds3

About 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride

3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride (PubChem CID 70510489) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride
PubChem CID70510489
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride
SMILESCc1cn(CCCN)cn1.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-7-5-10(6-9-7)4-2-3-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyTZPZKIIWQSTVSH-UHFFFAOYSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylimidazole
CID 13195
1-Methylhistamine
CID 3614
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
3-Methylhistamine
CID 69520
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
2,4-Dimethylimidazole
CID 70259
1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
N-Methylhistamine dihydrochloride
CID 16078977
1-Methylhistamine dihydrochloride
CID 11957601
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride (CID 70510489) is 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride is Cc1cn(CCCN)cn1.Cl.Cl.
What is the InChIKey of 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride?
The InChIKey is TZPZKIIWQSTVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-7-5-10(6-9-7)4-2-3-8;;/h5-6H,2-4,8H2,1H3;2*1H.
What are the key properties of 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride?
3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylimidazol-1-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 70510489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).