2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol

C10H19N3O — CID 66129489

IUPAC2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cncn1C(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)13-7-11-4-10(13)5-12-9(3)6-14/h4,7-9,12,14H,5-6H2,1-3H3
InChIKeyIUEKSEKFZGRRBB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds5

About 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol

2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol (PubChem CID 66129489) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol
PubChem CID66129489
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cncn1C(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)13-7-11-4-10(13)5-12-9(3)6-14/h4,7-9,12,14H,5-6H2,1-3H3
InChIKeyIUEKSEKFZGRRBB-UHFFFAOYSA-N
XLogP0.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol (CID 66129489) is 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol is CC(CO)NCc1cncn1C(C)C.
What is the InChIKey of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol?
The InChIKey is IUEKSEKFZGRRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)13-7-11-4-10(13)5-12-9(3)6-14/h4,7-9,12,14H,5-6H2,1-3H3.
What are the key properties of 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol?
2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylimidazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 66129489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).