6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine

C15H23NO2 — CID 142808388

IUPAC6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine
SMILESC=C/C(=C\C(OC)=C(/C)OC)C1CC=CCC1N
InChIInChI=1S/C15H23NO2/c1-5-12(10-15(18-4)11(2)17-3)13-8-6-7-9-14(13)16/h5-7,10,13-14H,1,8-9,16H2,2-4H3/b12-10+,15-11-
InChIKeyMWYYJVJPWNZMQO-NJFTWXLASA-N
MW249.35 g/mol
LogP2.92
Rot. Bonds5

About 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine

6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine (PubChem CID 142808388) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine
PubChem CID142808388
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine
SMILESC=C/C(=C\C(OC)=C(/C)OC)C1CC=CCC1N
InChIInChI=1S/C15H23NO2/c1-5-12(10-15(18-4)11(2)17-3)13-8-6-7-9-14(13)16/h5-7,10,13-14H,1,8-9,16H2,2-4H3/b12-10+,15-11-
InChIKeyMWYYJVJPWNZMQO-NJFTWXLASA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(1,3-Dioxol-4-yl)-2,5-dimethylhept-1-en-4-amine
CID 90827985
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CID 91537329
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CID 117953415
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)propan-2-amine
CID 118245185
[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
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2-(7-methoxy-8a-methyl-4aH-naphthalen-1-yl)ethanamine
CID 121247847

Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine?
The IUPAC name of 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine (CID 142808388) is 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine?
The canonical SMILES for 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine is C=C/C(=C\C(OC)=C(/C)OC)C1CC=CCC1N.
What is the InChIKey of 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine?
The InChIKey is MWYYJVJPWNZMQO-NJFTWXLASA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(10-15(18-4)11(2)17-3)13-8-6-7-9-14(13)16/h5-7,10,13-14H,1,8-9,16H2,2-4H3/b12-10+,15-11-.
What are the key properties of 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine?
6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5Z)-5,6-dimethoxyhepta-1,3,5-trien-3-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 142808388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).