1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol

C12H27NO — CID 79389360

IUPAC1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
SMILESCCCC(C)CN(CC)CC(C)(C)O
InChIInChI=1S/C12H27NO/c1-6-8-11(3)9-13(7-2)10-12(4,5)14/h11,14H,6-10H2,1-5H3
InChIKeyOYZHAWVEPMTECY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds7

About 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol

1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol (PubChem CID 79389360) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
PubChem CID79389360
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
SMILESCCCC(C)CN(CC)CC(C)(C)O
InChIInChI=1S/C12H27NO/c1-6-8-11(3)9-13(7-2)10-12(4,5)14/h11,14H,6-10H2,1-5H3
InChIKeyOYZHAWVEPMTECY-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-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 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol (CID 79389360) is 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol is CCCC(C)CN(CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
The InChIKey is OYZHAWVEPMTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-8-11(3)9-13(7-2)10-12(4,5)14/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).