2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol

C9H17N3O2 — CID 106186173

IUPAC2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
SMILESCCn1ccnc1NC(CO)COC
InChIInChI=1S/C9H17N3O2/c1-3-12-5-4-10-9(12)11-8(6-13)7-14-2/h4-5,8,13H,3,6-7H2,1-2H3,(H,10,11)
InChIKeyJBFXMVVJUAZGCG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds6

About 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol

2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106186173) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
PubChem CID106186173
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
SMILESCCn1ccnc1NC(CO)COC
InChIInChI=1S/C9H17N3O2/c1-3-12-5-4-10-9(12)11-8(6-13)7-14-2/h4-5,8,13H,3,6-7H2,1-2H3,(H,10,11)
InChIKeyJBFXMVVJUAZGCG-UHFFFAOYSA-N
XLogP0.32
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
CID 106182281
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
CID 106244489
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
CID 81078505
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
1-cyclopentyl-N-(1-methoxypentan-2-yl)imidazol-2-amine
CID 106574824
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
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-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol (CID 106186173) is 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol is CCn1ccnc1NC(CO)COC.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is JBFXMVVJUAZGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-12-5-4-10-9(12)11-8(6-13)7-14-2/h4-5,8,13H,3,6-7H2,1-2H3,(H,10,11).
What are the key properties of 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol?
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 199.25 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106186173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).