2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol

C10H17N3O — CID 164650188

IUPAC2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
SMILESCn1cnc(C(O)C(C)(N)C2CC2)c1
InChIInChI=1S/C10H17N3O/c1-10(11,7-3-4-7)9(14)8-5-13(2)6-12-8/h5-7,9,14H,3-4,11H2,1-2H3
InChIKeyRPFHRHSXHSOYGM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.58
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol

2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol (PubChem CID 164650188) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
PubChem CID164650188
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
SMILESCn1cnc(C(O)C(C)(N)C2CC2)c1
InChIInChI=1S/C10H17N3O/c1-10(11,7-3-4-7)9(14)8-5-13(2)6-12-8/h5-7,9,14H,3-4,11H2,1-2H3
InChIKeyRPFHRHSXHSOYGM-UHFFFAOYSA-N
XLogP0.58
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol (CID 164650188) is 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol is Cn1cnc(C(O)C(C)(N)C2CC2)c1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
The InChIKey is RPFHRHSXHSOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(11,7-3-4-7)9(14)8-5-13(2)6-12-8/h5-7,9,14H,3-4,11H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 164650188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).