1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol

C11H21N3O — CID 66402680

IUPAC1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
SMILESCC(C)CNCc1nccn1CC(C)O
InChIInChI=1S/C11H21N3O/c1-9(2)6-12-7-11-13-4-5-14(11)8-10(3)15/h4-5,9-10,12,15H,6-8H2,1-3H3
InChIKeyLKGICFBGYWXFIT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol

1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol (PubChem CID 66402680) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
PubChem CID66402680
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
SMILESCC(C)CNCc1nccn1CC(C)O
InChIInChI=1S/C11H21N3O/c1-9(2)6-12-7-11-13-4-5-14(11)8-10(3)15/h4-5,9-10,12,15H,6-8H2,1-3H3
InChIKeyLKGICFBGYWXFIT-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66401124
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]methyl]propan-1-amine
CID 66400727
2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402484
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 66402687
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402097

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol (CID 66402680) is 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol is CC(C)CNCc1nccn1CC(C)O.
What is the InChIKey of 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol?
The InChIKey is LKGICFBGYWXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)6-12-7-11-13-4-5-14(11)8-10(3)15/h4-5,9-10,12,15H,6-8H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol?
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 66402680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).