3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol

C12H23N3O — CID 115888422

IUPAC3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol
SMILESCc1ncn(CC(C)NCC(C)CO)c1C
InChIInChI=1S/C12H23N3O/c1-9(7-16)5-13-10(2)6-15-8-14-11(3)12(15)4/h8-10,13,16H,5-7H2,1-4H3
InChIKeyLGNPKUCTLCOAII-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.11
Rot. Bonds6

About 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol

3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol (PubChem CID 115888422) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol
PubChem CID115888422
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol
SMILESCc1ncn(CC(C)NCC(C)CO)c1C
InChIInChI=1S/C12H23N3O/c1-9(7-16)5-13-10(2)6-15-8-14-11(3)12(15)4/h8-10,13,16H,5-7H2,1-4H3
InChIKeyLGNPKUCTLCOAII-UHFFFAOYSA-N
XLogP1.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol (CID 115888422) is 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol is Cc1ncn(CC(C)NCC(C)CO)c1C.
What is the InChIKey of 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol?
The InChIKey is LGNPKUCTLCOAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(7-16)5-13-10(2)6-15-8-14-11(3)12(15)4/h8-10,13,16H,5-7H2,1-4H3.
What are the key properties of 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol?
3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115888422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).