2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol

C12H28N2O — CID 64826613

IUPAC2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
SMILESCCNC(C)(CO)CN(C)CCC(C)C
InChIInChI=1S/C12H28N2O/c1-6-13-12(4,10-15)9-14(5)8-7-11(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyFSXKYDVVKHIFJG-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds8

About 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol

2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol (PubChem CID 64826613) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
PubChem CID64826613
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
SMILESCCNC(C)(CO)CN(C)CCC(C)C
InChIInChI=1S/C12H28N2O/c1-6-13-12(4,10-15)9-14(5)8-7-11(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyFSXKYDVVKHIFJG-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]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-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol (CID 64826613) is 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol is CCNC(C)(CO)CN(C)CCC(C)C.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol?
The InChIKey is FSXKYDVVKHIFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-13-12(4,10-15)9-14(5)8-7-11(2)3/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol?
2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol is sourced from PubChem (CID 64826613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).