2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol

C11H21N3O — CID 64810048

IUPAC2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
SMILESCNC(C)(CO)Cn1ccnc1C(C)C
InChIInChI=1S/C11H21N3O/c1-9(2)10-13-5-6-14(10)7-11(3,8-15)12-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyLVQXQLZMTNBSRO-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds5

About 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol

2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol (PubChem CID 64810048) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
PubChem CID64810048
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
SMILESCNC(C)(CO)Cn1ccnc1C(C)C
InChIInChI=1S/C11H21N3O/c1-9(2)10-13-5-6-14(10)7-11(3,8-15)12-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyLVQXQLZMTNBSRO-UHFFFAOYSA-N
XLogP0.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
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2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
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2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol (CID 64810048) is 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol is CNC(C)(CO)Cn1ccnc1C(C)C.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol?
The InChIKey is LVQXQLZMTNBSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)10-13-5-6-14(10)7-11(3,8-15)12-4/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol?
2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 64810048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).