2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol

C12H27NO — CID 65332732

IUPAC2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol
SMILESCC(C)CCC(C)NC(C)C(C)(C)O
InChIInChI=1S/C12H27NO/c1-9(2)7-8-10(3)13-11(4)12(5,6)14/h9-11,13-14H,7-8H2,1-6H3
InChIKeyXLWGKOALRHBELC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol

2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol (PubChem CID 65332732) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol
PubChem CID65332732
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol
SMILESCC(C)CCC(C)NC(C)C(C)(C)O
InChIInChI=1S/C12H27NO/c1-9(2)7-8-10(3)13-11(4)12(5,6)14/h9-11,13-14H,7-8H2,1-6H3
InChIKeyXLWGKOALRHBELC-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(5-methylhexan-2-ylamino)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 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol (CID 65332732) is 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol is CC(C)CCC(C)NC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol?
The InChIKey is XLWGKOALRHBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)7-8-10(3)13-11(4)12(5,6)14/h9-11,13-14H,7-8H2,1-6H3.
What are the key properties of 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol?
2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol is sourced from PubChem (CID 65332732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).