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

C11H17N5 — CID 107975384

IUPACN-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)cn1)c1nccn1C
InChIInChI=1S/C11H17N5/c1-4-12-10(9-7-15(2)8-14-9)11-13-5-6-16(11)3/h5-8,10,12H,4H2,1-3H3
InChIKeyDROKPKFSCDKSFA-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.85
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 107975384) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
PubChem CID107975384
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)cn1)c1nccn1C
InChIInChI=1S/C11H17N5/c1-4-12-10(9-7-15(2)8-14-9)11-13-5-6-16(11)3/h5-8,10,12H,4H2,1-3H3
InChIKeyDROKPKFSCDKSFA-UHFFFAOYSA-N
XLogP0.85
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199028
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 102951798
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107974876
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine (CID 107975384) is N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cn(C)cn1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is DROKPKFSCDKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-12-10(9-7-15(2)8-14-9)11-13-5-6-16(11)3/h5-8,10,12H,4H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine?
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107975384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).