N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine

C13H29NO2 — CID 103029407

IUPACN-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
SMILESCCNC(CC(C)(C)OC)C(C)CCOC
InChIInChI=1S/C13H29NO2/c1-7-14-12(10-13(3,4)16-6)11(2)8-9-15-5/h11-12,14H,7-10H2,1-6H3
InChIKeyVACBEOVVTNPMDR-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine

N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine (PubChem CID 103029407) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
PubChem CID103029407
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
SMILESCCNC(CC(C)(C)OC)C(C)CCOC
InChIInChI=1S/C13H29NO2/c1-7-14-12(10-13(3,4)16-6)11(2)8-9-15-5/h11-12,14H,7-10H2,1-6H3
InChIKeyVACBEOVVTNPMDR-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-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-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105
N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
CID 103312319
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
3-(ethylamino)-5-methoxy-5-methylhexan-1-ol
CID 106676516
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine?
The IUPAC name of N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine (CID 103029407) is N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine.
What is the SMILES notation for N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine?
The canonical SMILES for N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine is CCNC(CC(C)(C)OC)C(C)CCOC.
What is the InChIKey of N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine?
The InChIKey is VACBEOVVTNPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-14-12(10-13(3,4)16-6)11(2)8-9-15-5/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine?
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine is sourced from PubChem (CID 103029407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).