4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol

C11H21N3O — CID 114532622

IUPAC4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(O)CCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-9(2)13-8-10(15)4-5-11-12-6-7-14(11)3/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeyJKIRGHVHWTXCMU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.71
Rot. Bonds6

About 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol

4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol (PubChem CID 114532622) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
PubChem CID114532622
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(O)CCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-9(2)13-8-10(15)4-5-11-12-6-7-14(11)3/h6-7,9-10,13,15H,4-5,8H2,1-3H3
InChIKeyJKIRGHVHWTXCMU-UHFFFAOYSA-N
XLogP0.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
CID 114531574
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol (CID 114532622) is 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol is CC(C)NCC(O)CCc1nccn1C.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol?
The InChIKey is JKIRGHVHWTXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)13-8-10(15)4-5-11-12-6-7-14(11)3/h6-7,9-10,13,15H,4-5,8H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol?
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 114532622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).