2-ethoxy-3,4-dimethylhexan-1-amine

C10H23NO — CID 22751777

IUPAC2-ethoxy-3,4-dimethylhexan-1-amine
SMILESCCOC(CN)C(C)C(C)CC
InChIInChI=1S/C10H23NO/c1-5-8(3)9(4)10(7-11)12-6-2/h8-10H,5-7,11H2,1-4H3
InChIKeyZPIHIELORHOHFC-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.03
Rot. Bonds6

About 2-ethoxy-3,4-dimethylhexan-1-amine

2-ethoxy-3,4-dimethylhexan-1-amine (PubChem CID 22751777) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-ethoxy-3,4-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,4-dimethylhexan-1-amine
PubChem CID22751777
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-ethoxy-3,4-dimethylhexan-1-amine
SMILESCCOC(CN)C(C)C(C)CC
InChIInChI=1S/C10H23NO/c1-5-8(3)9(4)10(7-11)12-6-2/h8-10H,5-7,11H2,1-4H3
InChIKeyZPIHIELORHOHFC-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-3,4-dimethylhexan-1-amine 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-ethoxy-3,4-dimethylhexan-1-amine?
The IUPAC name of 2-ethoxy-3,4-dimethylhexan-1-amine (CID 22751777) is 2-ethoxy-3,4-dimethylhexan-1-amine.
What is the SMILES notation for 2-ethoxy-3,4-dimethylhexan-1-amine?
The canonical SMILES for 2-ethoxy-3,4-dimethylhexan-1-amine is CCOC(CN)C(C)C(C)CC.
What is the InChIKey of 2-ethoxy-3,4-dimethylhexan-1-amine?
The InChIKey is ZPIHIELORHOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-8(3)9(4)10(7-11)12-6-2/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 2-ethoxy-3,4-dimethylhexan-1-amine?
2-ethoxy-3,4-dimethylhexan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4-dimethylhexan-1-amine is sourced from PubChem (CID 22751777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).