2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine

C12H19N5 — CID 67306418

IUPAC2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine
SMILESCn1cnc(CCNCCc2cn(C)cn2)c1
InChIInChI=1S/C12H19N5/c1-16-7-11(14-9-16)3-5-13-6-4-12-8-17(2)10-15-12/h7-10,13H,3-6H2,1-2H3
InChIKeyNLQYEBOWELXECZ-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.53
Rot. Bonds6

About 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine

2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine (PubChem CID 67306418) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine
PubChem CID67306418
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine
SMILESCn1cnc(CCNCCc2cn(C)cn2)c1
InChIInChI=1S/C12H19N5/c1-16-7-11(14-9-16)3-5-13-6-4-12-8-17(2)10-15-12/h7-10,13H,3-6H2,1-2H3
InChIKeyNLQYEBOWELXECZ-UHFFFAOYSA-N
XLogP0.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Histamine
CID 774
1-Methylhistamine
CID 3614
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
3-Methylhistamine
CID 69520
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
2-Methylhistamine
CID 91613
1-Methylhistamine dihydrochloride
CID 11957601
N-ethylhistamine
CID 44292270
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine (CID 67306418) is 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine is Cn1cnc(CCNCCc2cn(C)cn2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine?
The InChIKey is NLQYEBOWELXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16-7-11(14-9-16)3-5-13-6-4-12-8-17(2)10-15-12/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine?
2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 67306418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).