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

C9H18N4O — CID 106182281

IUPAC2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
SMILESCCn1ccnc1NC(CN)COC
InChIInChI=1S/C9H18N4O/c1-3-13-5-4-11-9(13)12-8(6-10)7-14-2/h4-5,8H,3,6-7,10H2,1-2H3,(H,11,12)
InChIKeyGZYHXCXOELBYGQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds6

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

2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine (PubChem CID 106182281) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
PubChem CID106182281
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
SMILESCCn1ccnc1NC(CN)COC
InChIInChI=1S/C9H18N4O/c1-3-13-5-4-11-9(13)12-8(6-10)7-14-2/h4-5,8H,3,6-7,10H2,1-2H3,(H,11,12)
InChIKeyGZYHXCXOELBYGQ-UHFFFAOYSA-N
XLogP0.29
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-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

2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
CID 106244489
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
1-cyclopentyl-N-(1-methoxypentan-2-yl)imidazol-2-amine
CID 106574824
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 107506086

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine (CID 106182281) is 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine is CCn1ccnc1NC(CN)COC.
What is the InChIKey of 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine?
The InChIKey is GZYHXCXOELBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-13-5-4-11-9(13)12-8(6-10)7-14-2/h4-5,8H,3,6-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine?
2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 106182281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).