1-(dimethylamino)-2-methylpropan-1-ol

C6H15NO — CID 22344985

IUPAC1-(dimethylamino)-2-methylpropan-1-ol
SMILESCC(C)C(O)N(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(8)7(3)4/h5-6,8H,1-4H3
InChIKeyWRIFCFZXLZGSGD-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.52
Rot. Bonds2

About 1-(dimethylamino)-2-methylpropan-1-ol

1-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 22344985) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylpropan-1-ol
PubChem CID22344985
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-(dimethylamino)-2-methylpropan-1-ol
SMILESCC(C)C(O)N(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(8)7(3)4/h5-6,8H,1-4H3
InChIKeyWRIFCFZXLZGSGD-UHFFFAOYSA-N
XLogP0.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Dimethylamino)-1-propanol
CID 76646
3-(Dimethylamino)-2,2-dimethyl-1-propanol
CID 87919
Homocholine
CID 23169
3-(Dimethylamino)-1-propanol hydrochloride
CID 18784220
(1-Methylazetidin-3-yl)methanol
CID 22967022
Propanol, (dimethylamino)-
CID 116739
3-(Ethyl(methyl)amino)propan-1-ol
CID 14440969
2,2-Dimethyl-3-(methyl(2-methylpropyl)amino)propan-1-ol
CID 62271279
Diethylamino-propanol
CID 5256659
Dimethylaminobutanol
CID 19917359
Oxypropyl-3-trimethylammonium chloride
CID 21988085
(R)-3-(Dimethylamino)-2-methylpropan-1-OL
CID 40579083

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(dimethylamino)-2-methylpropan-1-ol (CID 22344985) is 1-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(dimethylamino)-2-methylpropan-1-ol is CC(C)C(O)N(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is WRIFCFZXLZGSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(2)6(8)7(3)4/h5-6,8H,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methylpropan-1-ol?
1-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 22344985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).