(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine

C13H23NO — CID 156728076

IUPAC(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(/C=C\C(=C)C(C)CCN(C)C)OC
InChIInChI=1S/C13H23NO/c1-11(7-8-13(3)15-6)12(2)9-10-14(4)5/h7-8,12H,1,3,9-10H2,2,4-6H3/b8-7-
InChIKeyLMVXXWAVPQHSNS-FPLPWBNLSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds7

About (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine

(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 156728076) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID156728076
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(/C=C\C(=C)C(C)CCN(C)C)OC
InChIInChI=1S/C13H23NO/c1-11(7-8-13(3)15-6)12(2)9-10-14(4)5/h7-8,12H,1,3,9-10H2,2,4-6H3/b8-7-
InChIKeyLMVXXWAVPQHSNS-FPLPWBNLSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
CID 144635931
(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
CID 145278538
(3Z,4E)-3-ethylidene-6-methoxy-N,N-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 166842181
2-[(1S)-5-methoxy-3-(trifluoromethyl)cyclohepta-3,5-dien-1-yl]-N,N-dimethylethanamine
CID 167080864
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene;hydrochloride
CID 20509355
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine
CID 91524542
1-[3-(4-Methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
CID 129295731
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine
CID 143576542
4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine
CID 143689649

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine (CID 156728076) is (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine is C=C(/C=C\C(=C)C(C)CCN(C)C)OC.
What is the InChIKey of (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is LMVXXWAVPQHSNS-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(7-8-13(3)15-6)12(2)9-10-14(4)5/h7-8,12H,1,3,9-10H2,2,4-6H3/b8-7-.
What are the key properties of (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 156728076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).