[1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol

C9H15N3O — CID 66116726

IUPAC[1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol
SMILESCn1cncc1C1CC1(CN)CO
InChIInChI=1S/C9H15N3O/c1-12-6-11-3-8(12)7-2-9(7,4-10)5-13/h3,6-7,13H,2,4-5,10H2,1H3
InChIKeyILFRHXBZWXANRP-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.16
Rot. Bonds3

About [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol

[1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol (PubChem CID 66116726) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol
PubChem CID66116726
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol
SMILESCn1cncc1C1CC1(CN)CO
InChIInChI=1S/C9H15N3O/c1-12-6-11-3-8(12)7-2-9(7,4-10)5-13/h3,6-7,13H,2,4-5,10H2,1H3
InChIKeyILFRHXBZWXANRP-UHFFFAOYSA-N
XLogP-0.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol (CID 66116726) is [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol is Cn1cncc1C1CC1(CN)CO.
What is the InChIKey of [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol?
The InChIKey is ILFRHXBZWXANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-6-11-3-8(12)7-2-9(7,4-10)5-13/h3,6-7,13H,2,4-5,10H2,1H3.
What are the key properties of [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol?
[1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol has a molecular weight of 181.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-(3-methylimidazol-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 66116726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).