4-(tert-butylamino)-4-methylpentan-2-ol

C10H23NO — CID 135271050

IUPAC4-(tert-butylamino)-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(12)7-10(5,6)11-9(2,3)4/h8,11-12H,7H2,1-6H3
InChIKeyVRCPHYNZYVTOMU-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.92
Rot. Bonds3

About 4-(tert-butylamino)-4-methylpentan-2-ol

4-(tert-butylamino)-4-methylpentan-2-ol (PubChem CID 135271050) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-(tert-butylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-4-methylpentan-2-ol
PubChem CID135271050
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-(tert-butylamino)-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(12)7-10(5,6)11-9(2,3)4/h8,11-12H,7H2,1-6H3
InChIKeyVRCPHYNZYVTOMU-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(tert-butylamino)-4-methylpentan-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-(tert-butylamino)-4-methylpentan-2-ol?
The IUPAC name of 4-(tert-butylamino)-4-methylpentan-2-ol (CID 135271050) is 4-(tert-butylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-4-methylpentan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-4-methylpentan-2-ol is CC(O)CC(C)(C)NC(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-4-methylpentan-2-ol?
The InChIKey is VRCPHYNZYVTOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(12)7-10(5,6)11-9(2,3)4/h8,11-12H,7H2,1-6H3.
What are the key properties of 4-(tert-butylamino)-4-methylpentan-2-ol?
4-(tert-butylamino)-4-methylpentan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 135271050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).