2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol

C10H19NO — CID 81411464

IUPAC2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol
SMILESC#CC(C)(C)NCC(C)(C)CO
InChIInChI=1S/C10H19NO/c1-6-10(4,5)11-7-9(2,3)8-12/h1,11-12H,7-8H2,2-5H3
InChIKeyBCNAMFFKQJABKN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol

2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol (PubChem CID 81411464) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol
PubChem CID81411464
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol
SMILESC#CC(C)(C)NCC(C)(C)CO
InChIInChI=1S/C10H19NO/c1-6-10(4,5)11-7-9(2,3)8-12/h1,11-12H,7-8H2,2-5H3
InChIKeyBCNAMFFKQJABKN-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-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 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol (CID 81411464) is 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol is C#CC(C)(C)NCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol?
The InChIKey is BCNAMFFKQJABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-10(4,5)11-7-9(2,3)8-12/h1,11-12H,7-8H2,2-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol?
2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol is sourced from PubChem (CID 81411464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).