3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine

C12H26NO2- — CID 163765825

IUPAC3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine
SMILESCCC(C)C(C)(CC)C(C)(C)N([O-])OC
InChIInChI=1S/C12H26NO2/c1-8-10(3)12(6,9-2)11(4,5)13(14)15-7/h10H,8-9H2,1-7H3/q-1
InChIKeyNCPGILVYWMRZNU-UHFFFAOYSA-N
MW216.34 g/mol
LogP3.59
Rot. Bonds6

About 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine

3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine (PubChem CID 163765825) has the molecular formula C12H26NO2- and a molecular weight of 216.34 g/mol. Its IUPAC name is 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine
PubChem CID163765825
Molecular FormulaC12H26NO2-
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine
SMILESCCC(C)C(C)(CC)C(C)(C)N([O-])OC
InChIInChI=1S/C12H26NO2/c1-8-10(3)12(6,9-2)11(4,5)13(14)15-7/h10H,8-9H2,1-7H3/q-1
InChIKeyNCPGILVYWMRZNU-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,5-tetramethylheptan-4-ol
CID 22899418
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
4-tert-butyl-3,4,6-trimethyloctane
CID 123273075
3-fluoro-3,4-dimethylhexane
CID 153400772
methyl 2-ethyl-2,3-dimethylpentanoate
CID 23269301
N,N,3,4,4,5-hexamethylheptan-3-amine
CID 143946906
3,4-dimethylhexan-3-yl nitrate
CID 139910361
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
3,4-diethyl-4,5-dimethylheptane
CID 57491367
CID 21072175
CID 21072175
3-ethoxy-3-ethyl-4-methylhexane
CID 172859093
2,3-dimethylpentane-2-thiol
CID 90985123

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine?
The IUPAC name of 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine (CID 163765825) is 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine.
What is the SMILES notation for 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine?
The canonical SMILES for 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine is CCC(C)C(C)(CC)C(C)(C)N([O-])OC.
What is the InChIKey of 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine?
The InChIKey is NCPGILVYWMRZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO2/c1-8-10(3)12(6,9-2)11(4,5)13(14)15-7/h10H,8-9H2,1-7H3/q-1.
What are the key properties of 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine?
3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine has a molecular weight of 216.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methoxy-2,3,4-trimethyl-N-oxidohexan-2-amine is sourced from PubChem (CID 163765825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).