N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine

C13H29NO2 — CID 103036056

IUPACN-ethyl-3,7-dimethoxy-7-methyloctan-4-amine
SMILESCCNC(CCC(C)(C)OC)C(CC)OC
InChIInChI=1S/C13H29NO2/c1-7-12(15-5)11(14-8-2)9-10-13(3,4)16-6/h11-12,14H,7-10H2,1-6H3
InChIKeyUUTGOBDWFCGNQR-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds9

About N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine

N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine (PubChem CID 103036056) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-3,7-dimethoxy-7-methyloctan-4-amine
PubChem CID103036056
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-ethyl-3,7-dimethoxy-7-methyloctan-4-amine
SMILESCCNC(CCC(C)(C)OC)C(CC)OC
InChIInChI=1S/C13H29NO2/c1-7-12(15-5)11(14-8-2)9-10-13(3,4)16-6/h11-12,14H,7-10H2,1-6H3
InChIKeyUUTGOBDWFCGNQR-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,7-dimethoxy-7-methyloctan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine?
The IUPAC name of N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine (CID 103036056) is N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine.
What is the SMILES notation for N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine?
The canonical SMILES for N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine is CCNC(CCC(C)(C)OC)C(CC)OC.
What is the InChIKey of N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine?
The InChIKey is UUTGOBDWFCGNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-12(15-5)11(14-8-2)9-10-13(3,4)16-6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine?
N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine is sourced from PubChem (CID 103036056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).