ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine

C15H29NO — CID 144607368

IUPACethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C)CN(CC)CCOC.CC
InChIInChI=1S/C13H23NO.C2H6/c1-6-14(9-10-15-5)11-13(4)8-7-12(2)3;1-2/h7-8H,2,4,6,9-11H2,1,3,5H3;1-2H3/b8-7-;
InChIKeyOXNPPTSSUQCFET-CFYXSCKTSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds8

About ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine

ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 144607368) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine
PubChem CID144607368
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C)CN(CC)CCOC.CC
InChIInChI=1S/C13H23NO.C2H6/c1-6-14(9-10-15-5)11-13(4)8-7-12(2)3;1-2/h7-8H,2,4,6,9-11H2,1,3,5H3;1-2H3/b8-7-;
InChIKeyOXNPPTSSUQCFET-CFYXSCKTSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-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 ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine (CID 144607368) is ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine is C=C(C)/C=C\C(=C)CN(CC)CCOC.CC.
What is the InChIKey of ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is OXNPPTSSUQCFET-CFYXSCKTSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-6-14(9-10-15-5)11-13(4)8-7-12(2)3;1-2/h7-8H,2,4,6,9-11H2,1,3,5H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine?
ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-ethyl-N-(2-methoxyethyl)-5-methyl-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 144607368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).