2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol

C13H30N2O — CID 64827009

IUPAC2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
SMILESCCNC(C)(CO)CCN(C)CCC(C)C
InChIInChI=1S/C13H30N2O/c1-6-14-13(4,11-16)8-10-15(5)9-7-12(2)3/h12,14,16H,6-11H2,1-5H3
InChIKeyRGEHOIHYBKEABA-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds9

About 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol

2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol (PubChem CID 64827009) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
PubChem CID64827009
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
SMILESCCNC(C)(CO)CCN(C)CCC(C)C
InChIInChI=1S/C13H30N2O/c1-6-14-13(4,11-16)8-10-15(5)9-7-12(2)3/h12,14,16H,6-11H2,1-5H3
InChIKeyRGEHOIHYBKEABA-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-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-4-[methyl(3-methylbutyl)amino]butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol (CID 64827009) is 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol is CCNC(C)(CO)CCN(C)CCC(C)C.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol?
The InChIKey is RGEHOIHYBKEABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-14-13(4,11-16)8-10-15(5)9-7-12(2)3/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol?
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol is sourced from PubChem (CID 64827009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).