N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine

C12H19N5 — CID 82903316

IUPACN-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cncn1C)c1nccn1CC
InChIInChI=1S/C12H19N5/c1-4-14-11(10-8-13-9-16(10)3)12-15-6-7-17(12)5-2/h6-9,11,14H,4-5H2,1-3H3
InChIKeyIRFVQYCCQYPJRO-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.34
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine

N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 82903316) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID82903316
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cncn1C)c1nccn1CC
InChIInChI=1S/C12H19N5/c1-4-14-11(10-8-13-9-16(10)3)12-15-6-7-17(12)5-2/h6-9,11,14H,4-5H2,1-3H3
InChIKeyIRFVQYCCQYPJRO-UHFFFAOYSA-N
XLogP1.34
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903281
(3-methylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
CID 66117982
2-(1-ethylimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79744158
N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148852
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 82902463
N-[(5-bromo-3-methyltriazol-4-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 106462910
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 82903321
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199087
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 82901871

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine (CID 82903316) is N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cncn1C)c1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is IRFVQYCCQYPJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-14-11(10-8-13-9-16(10)3)12-15-6-7-17(12)5-2/h6-9,11,14H,4-5H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 82903316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).