1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol

C12H23N3O — CID 79761462

IUPAC1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCNCC(O)Cc1nccn1CCC
InChIInChI=1S/C12H23N3O/c1-3-5-13-10-11(16)9-12-14-6-8-15(12)7-4-2/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3
InChIKeyLGVBBCVCTRNLGQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.20
Rot. Bonds8

About 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol

1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol (PubChem CID 79761462) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
PubChem CID79761462
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCNCC(O)Cc1nccn1CCC
InChIInChI=1S/C12H23N3O/c1-3-5-13-10-11(16)9-12-14-6-8-15(12)7-4-2/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3
InChIKeyLGVBBCVCTRNLGQ-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 79752739
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol (CID 79761462) is 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol is CCCNCC(O)Cc1nccn1CCC.
What is the InChIKey of 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
The InChIKey is LGVBBCVCTRNLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-5-13-10-11(16)9-12-14-6-8-15(12)7-4-2/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79761462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).