1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol

C9H17N3O — CID 43165900

IUPAC1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cn1ccnc1
InChIInChI=1S/C9H17N3O/c1-8(2)11-5-9(13)6-12-4-3-10-7-12/h3-4,7-9,11,13H,5-6H2,1-2H3
InChIKeyYPFPTRHBDSMYAN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.24
Rot. Bonds5

About 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol

1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43165900) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
PubChem CID43165900
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cn1ccnc1
InChIInChI=1S/C9H17N3O/c1-8(2)11-5-9(13)6-12-4-3-10-7-12/h3-4,7-9,11,13H,5-6H2,1-2H3
InChIKeyYPFPTRHBDSMYAN-UHFFFAOYSA-N
XLogP0.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
CID 54958866
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106009921
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-[(6-amino-2-pyridinyl)amino]-3-imidazol-1-ylpropan-2-ol
CID 10059875
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271542
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
1-(2-methylbutyl)imidazole
CID 59161437
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441820

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol (CID 43165900) is 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is YPFPTRHBDSMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)11-5-9(13)6-12-4-3-10-7-12/h3-4,7-9,11,13H,5-6H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol?
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43165900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).