3-[methyl(propan-2-yl)amino]butan-2-ol

C8H19NO — CID 58823788

IUPAC3-[methyl(propan-2-yl)amino]butan-2-ol
SMILESCC(O)C(C)N(C)C(C)C
InChIInChI=1S/C8H19NO/c1-6(2)9(5)7(3)8(4)10/h6-8,10H,1-5H3
InChIKeyOHNHACRCENNKQV-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.10
Rot. Bonds3

About 3-[methyl(propan-2-yl)amino]butan-2-ol

3-[methyl(propan-2-yl)amino]butan-2-ol (PubChem CID 58823788) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]butan-2-ol
PubChem CID58823788
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-[methyl(propan-2-yl)amino]butan-2-ol
SMILESCC(O)C(C)N(C)C(C)C
InChIInChI=1S/C8H19NO/c1-6(2)9(5)7(3)8(4)10/h6-8,10H,1-5H3
InChIKeyOHNHACRCENNKQV-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[methyl(propan-2-yl)amino]butan-2-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(propan-2-yl)amino]butan-2-ol?
The IUPAC name of 3-[methyl(propan-2-yl)amino]butan-2-ol (CID 58823788) is 3-[methyl(propan-2-yl)amino]butan-2-ol.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]butan-2-ol?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]butan-2-ol is CC(O)C(C)N(C)C(C)C.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]butan-2-ol?
The InChIKey is OHNHACRCENNKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)9(5)7(3)8(4)10/h6-8,10H,1-5H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]butan-2-ol?
3-[methyl(propan-2-yl)amino]butan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]butan-2-ol is sourced from PubChem (CID 58823788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).