2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine

C13H23NO — CID 142832245

IUPAC2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine
SMILESC=C(/C=C\C(=C)COCCNCC)CC
InChIInChI=1S/C13H23NO/c1-5-12(3)7-8-13(4)11-15-10-9-14-6-2/h7-8,14H,3-6,9-11H2,1-2H3/b8-7-
InChIKeySJTWGWDANDFBBQ-FPLPWBNLSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds9

About 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine

2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine (PubChem CID 142832245) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine
PubChem CID142832245
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine
SMILESC=C(/C=C\C(=C)COCCNCC)CC
InChIInChI=1S/C13H23NO/c1-5-12(3)7-8-13(4)11-15-10-9-14-6-2/h7-8,14H,3-6,9-11H2,1-2H3/b8-7-
InChIKeySJTWGWDANDFBBQ-FPLPWBNLSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
2-Hexa-1,3,5-trien-3-yl-6-methylmorpholine
CID 123662227
N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 123770200
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
2-[(1S)-cyclohexa-2,4-dien-1-yl]oxy-N-methylethanamine
CID 132159304
(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224611
2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine
CID 142068009
ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
CID 142079041

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine?
The IUPAC name of 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine (CID 142832245) is 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine?
The canonical SMILES for 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine is C=C(/C=C\C(=C)COCCNCC)CC.
What is the InChIKey of 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine?
The InChIKey is SJTWGWDANDFBBQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-12(3)7-8-13(4)11-15-10-9-14-6-2/h7-8,14H,3-6,9-11H2,1-2H3/b8-7-.
What are the key properties of 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine?
2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine is sourced from PubChem (CID 142832245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).