N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine

C9H18N4 — CID 106552472

IUPACN'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCCn1cc(C)nc1N(C)CCN
InChIInChI=1S/C9H18N4/c1-4-13-7-8(2)11-9(13)12(3)6-5-10/h7H,4-6,10H2,1-3H3
InChIKeyRSCWPZQBUDOBPY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds4

About N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine

N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 106552472) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine
PubChem CID106552472
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCCn1cc(C)nc1N(C)CCN
InChIInChI=1S/C9H18N4/c1-4-13-7-8(2)11-9(13)12(3)6-5-10/h7H,4-6,10H2,1-3H3
InChIKeyRSCWPZQBUDOBPY-UHFFFAOYSA-N
XLogP0.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,4-diethylimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 106552475
1-ethyl-N,N,4-trimethylimidazol-2-amine
CID 117189633
N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine
CID 106552497
N'-ethyl-N'-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]ethane-1,2-diamine
CID 106553976
N,N'-dimethyl-N'-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
CID 106552757
1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383
N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine
CID 106553237
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
(2-ethyl-4-methylimidazol-1-yl)methanamine
CID 141279094
(1-ethyl-4-methylimidazol-2-yl)methanol
CID 117187857
1,4-diethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552617

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine (CID 106552472) is N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine is CCn1cc(C)nc1N(C)CCN.
What is the InChIKey of N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is RSCWPZQBUDOBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-13-7-8(2)11-9(13)12(3)6-5-10/h7H,4-6,10H2,1-3H3.
What are the key properties of N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine?
N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106552472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).