3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C11H22N4 — CID 62139161

IUPAC3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCn1ccnc1NC(C)CCN(C)C
InChIInChI=1S/C11H22N4/c1-5-15-9-7-12-11(15)13-10(2)6-8-14(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyMISCLHMFCXJOQM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.66
Rot. Bonds6

About 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 62139161) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID62139161
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCn1ccnc1NC(C)CCN(C)C
InChIInChI=1S/C11H22N4/c1-5-15-9-7-12-11(15)13-10(2)6-8-14(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyMISCLHMFCXJOQM-UHFFFAOYSA-N
XLogP1.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567739
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
1-N,1-N-dimethyl-2-N-(1-methylimidazol-2-yl)propane-1,2-diamine
CID 82937558
3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567746
1-ethyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 62842596

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 62139161) is 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CCn1ccnc1NC(C)CCN(C)C.
What is the InChIKey of 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is MISCLHMFCXJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-15-9-7-12-11(15)13-10(2)6-8-14(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,12,13).
What are the key properties of 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 62139161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).