3-methyl-4-(methylamino)butan-1-ol

C6H15NO — CID 64982521

IUPAC3-methyl-4-(methylamino)butan-1-ol
SMILESCNCC(C)CCO
InChIInChI=1S/C6H15NO/c1-6(3-4-8)5-7-2/h6-8H,3-5H2,1-2H3
InChIKeyAAHWWTCYRIHDHR-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.22
Rot. Bonds4

About 3-methyl-4-(methylamino)butan-1-ol

3-methyl-4-(methylamino)butan-1-ol (PubChem CID 64982521) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(methylamino)butan-1-ol
PubChem CID64982521
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-methyl-4-(methylamino)butan-1-ol
SMILESCNCC(C)CCO
InChIInChI=1S/C6H15NO/c1-6(3-4-8)5-7-2/h6-8H,3-5H2,1-2H3
InChIKeyAAHWWTCYRIHDHR-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(methylamino)butan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(methylamino)butan-1-ol (CID 64982521) is 3-methyl-4-(methylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(methylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(methylamino)butan-1-ol is CNCC(C)CCO.
What is the InChIKey of 3-methyl-4-(methylamino)butan-1-ol?
The InChIKey is AAHWWTCYRIHDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(3-4-8)5-7-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-4-(methylamino)butan-1-ol?
3-methyl-4-(methylamino)butan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)butan-1-ol is sourced from PubChem (CID 64982521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).