1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine

C12H27NO2 — CID 103031120

IUPAC1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)COCC
InChIInChI=1S/C12H27NO2/c1-6-13-11(10-15-7-2)8-9-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyLKMJSTLNTBWOJT-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds9

About 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine

1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103031120) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103031120
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)COCC
InChIInChI=1S/C12H27NO2/c1-6-13-11(10-15-7-2)8-9-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyLKMJSTLNTBWOJT-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-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

N-ethyl-7-methoxy-2,2,7-trimethyloctan-4-amine
CID 103031647
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
CID 103031280
3-(ethylamino)-5-methoxy-5-methylhexan-1-ol
CID 106676516
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
CID 103031663
2-methoxy-N,2-dimethylnonan-5-amine
CID 103031216
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine (CID 103031120) is 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)COCC.
What is the InChIKey of 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is LKMJSTLNTBWOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-13-11(10-15-7-2)8-9-12(3,4)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103031120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).