4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol

C12H23N3O — CID 64810680

IUPAC4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)n1ccnc1
InChIInChI=1S/C12H23N3O/c1-4-5-14-12(3,9-16)8-11(2)15-7-6-13-10-15/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3
InChIKeyBYKVRNOGCHVNEX-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.58
Rot. Bonds7

About 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol

4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64810680) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64810680
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)n1ccnc1
InChIInChI=1S/C12H23N3O/c1-4-5-14-12(3,9-16)8-11(2)15-7-6-13-10-15/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3
InChIKeyBYKVRNOGCHVNEX-UHFFFAOYSA-N
XLogP1.58
TPSA50.08 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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol (CID 64810680) is 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is BYKVRNOGCHVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-14-12(3,9-16)8-11(2)15-7-6-13-10-15/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol?
4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64810680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).