4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol

C13H29NO — CID 79326254

IUPAC4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCC(C)CN(CCC(C)(C)O)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-14(10-12(3)4)8-7-13(5,6)15/h11-12,15H,7-10H2,1-6H3
InChIKeyVUJHTPIZHNBGAM-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.76
Rot. Bonds7

About 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol

4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol (PubChem CID 79326254) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
PubChem CID79326254
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCC(C)CN(CCC(C)(C)O)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-14(10-12(3)4)8-7-13(5,6)15/h11-12,15H,7-10H2,1-6H3
InChIKeyVUJHTPIZHNBGAM-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[bis(2-methylpropyl)amino]-2-methylbutan-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 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol (CID 79326254) is 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol is CC(C)CN(CCC(C)(C)O)CC(C)C.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
The InChIKey is VUJHTPIZHNBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)9-14(10-12(3)4)8-7-13(5,6)15/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 79326254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).