3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine

C16H23NO — CID 143088498

IUPAC3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
SMILESC=c1cccc(CCCN)/c1=C/C/C(=C\C)OC
InChIInChI=1S/C16H23NO/c1-4-15(18-3)10-11-16-13(2)7-5-8-14(16)9-6-12-17/h4-5,7-8,11H,2,6,9-10,12,17H2,1,3H3/b15-4+,16-11+
InChIKeyUZZPAOIPQOENOL-URWGOJBTSA-N
MW245.37 g/mol
LogP1.71
Rot. Bonds6

About 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine

3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine (PubChem CID 143088498) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
PubChem CID143088498
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
SMILESC=c1cccc(CCCN)/c1=C/C/C(=C\C)OC
InChIInChI=1S/C16H23NO/c1-4-15(18-3)10-11-16-13(2)7-5-8-14(16)9-6-12-17/h4-5,7-8,11H,2,6,9-10,12,17H2,1,3H3/b15-4+,16-11+
InChIKeyUZZPAOIPQOENOL-URWGOJBTSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
3-(2-Methoxycyclohexa-1,4-dien-1-yl)propan-1-amine
CID 10964900
2-(4-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 11435055
(1E,3E,5Z,7E)-2-but-3-enyl-5-[(E)-2-methoxyprop-1-enyl]-3-methylnona-1,3,5,7-tetraen-1-amine
CID 141785703
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine
CID 143088497
4-Cyclohexa-1,5-dien-1-yl-3-methoxybutan-1-amine
CID 143109891
ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806676
ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806727
(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
CID 144586172
(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine
CID 146489352

Frequently Asked Questions

What is the IUPAC name of 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine?
The IUPAC name of 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine (CID 143088498) is 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine.
What is the SMILES notation for 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine?
The canonical SMILES for 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine is C=c1cccc(CCCN)/c1=C/C/C(=C\C)OC.
What is the InChIKey of 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine?
The InChIKey is UZZPAOIPQOENOL-URWGOJBTSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-15(18-3)10-11-16-13(2)7-5-8-14(16)9-6-12-17/h4-5,7-8,11H,2,6,9-10,12,17H2,1,3H3/b15-4+,16-11+.
What are the key properties of 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine?
3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine is sourced from PubChem (CID 143088498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).