3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol

C12H23N3O — CID 114357761

IUPAC3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol
SMILESCCCc1nccn1C(CO)C(N)CCC
InChIInChI=1S/C12H23N3O/c1-3-5-10(13)11(9-16)15-8-7-14-12(15)6-4-2/h7-8,10-11,16H,3-6,9,13H2,1-2H3
InChIKeyOBJFLAKWODYJKZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.50
Rot. Bonds7

About 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol

3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol (PubChem CID 114357761) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol
PubChem CID114357761
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol
SMILESCCCc1nccn1C(CO)C(N)CCC
InChIInChI=1S/C12H23N3O/c1-3-5-10(13)11(9-16)15-8-7-14-12(15)6-4-2/h7-8,10-11,16H,3-6,9,13H2,1-2H3
InChIKeyOBJFLAKWODYJKZ-UHFFFAOYSA-N
XLogP1.50
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol (CID 114357761) is 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol is CCCc1nccn1C(CO)C(N)CCC.
What is the InChIKey of 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol?
The InChIKey is OBJFLAKWODYJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-5-10(13)11(9-16)15-8-7-14-12(15)6-4-2/h7-8,10-11,16H,3-6,9,13H2,1-2H3.
What are the key properties of 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol?
3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol is sourced from PubChem (CID 114357761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).