2-(1H-imidazol-5-yl)-N-methylethanamine

C6H11N3 — CID 912

IUPAC2-(1H-imidazol-5-yl)-N-methylethanamine
SMILESCNCCc1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyPHSPJQZRQAJPPF-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.17
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-N-methylethanamine

2-(1H-imidazol-5-yl)-N-methylethanamine (PubChem CID 912) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-methylethanamine
PubChem CID912
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(1H-imidazol-5-yl)-N-methylethanamine
SMILESCNCCc1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyPHSPJQZRQAJPPF-UHFFFAOYSA-N
XLogP0.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
1-Methylhistamine
CID 3614
Histamine Dihydrochloride
CID 5818
Histamine Phosphate
CID 65513
2-Ethyl-4-methylimidazole
CID 70262
Acetylhistamine
CID 69602
2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
CID 3692
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
3-Methylhistamine
CID 69520
Burimamide
CID 3032915
4-Methylhistamine
CID 37463

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-methylethanamine (CID 912) is 2-(1H-imidazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-methylethanamine is CNCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-methylethanamine?
The InChIKey is PHSPJQZRQAJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-5-yl)-N-methylethanamine?
2-(1H-imidazol-5-yl)-N-methylethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).