[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol

C9H15N3O — CID 115763109

IUPAC[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
SMILESCn1cncc1CNC1(CO)CC1
InChIInChI=1S/C9H15N3O/c1-12-7-10-4-8(12)5-11-9(6-13)2-3-9/h4,7,11,13H,2-3,5-6H2,1H3
InChIKeyXMSZGPBEPRJTHE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.03
Rot. Bonds4

About [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol

[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol (PubChem CID 115763109) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
PubChem CID115763109
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
SMILESCn1cncc1CNC1(CO)CC1
InChIInChI=1S/C9H15N3O/c1-12-7-10-4-8(12)5-11-9(6-13)2-3-9/h4,7,11,13H,2-3,5-6H2,1H3
InChIKeyXMSZGPBEPRJTHE-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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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol (CID 115763109) is [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol is Cn1cncc1CNC1(CO)CC1.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol?
The InChIKey is XMSZGPBEPRJTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-7-10-4-8(12)5-11-9(6-13)2-3-9/h4,7,11,13H,2-3,5-6H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol?
[1-[(3-methylimidazol-4-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-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).