[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol

C9H15N3O — CID 115763066

IUPAC[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
SMILESCn1ccnc1CNC1(CO)CC1
InChIInChI=1S/C9H15N3O/c1-12-5-4-10-8(12)6-11-9(7-13)2-3-9/h4-5,11,13H,2-3,6-7H2,1H3
InChIKeyINQGOYMNTAJGBM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.03
Rot. Bonds4

About [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol

[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol (PubChem CID 115763066) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
PubChem CID115763066
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
SMILESCn1ccnc1CNC1(CO)CC1
InChIInChI=1S/C9H15N3O/c1-12-5-4-10-8(12)6-11-9(7-13)2-3-9/h4-5,11,13H,2-3,6-7H2,1H3
InChIKeyINQGOYMNTAJGBM-UHFFFAOYSA-N
XLogP0.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-ethylimidazol-2-yl)methylamino]cyclobutyl]methanol
CID 115733170
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
CID 43142865
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
CID 115763109
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
[1-[(1-ethylimidazol-2-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62552492
1-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63293396
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol (CID 115763066) is [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol is Cn1ccnc1CNC1(CO)CC1.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol?
The InChIKey is INQGOYMNTAJGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-5-4-10-8(12)6-11-9(7-13)2-3-9/h4-5,11,13H,2-3,6-7H2,1H3.
What are the key properties of [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol?
[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).