1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine

C16H28N2O — CID 129045607

IUPAC1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
SMILESC=C(/C=C\C(=C/C)CCN1CCC(NC)CC1)OC
InChIInChI=1S/C16H28N2O/c1-5-15(7-6-14(2)19-4)8-11-18-12-9-16(17-3)10-13-18/h5-7,16-17H,2,8-13H2,1,3-4H3/b7-6-,15-5+
InChIKeyHNVSQUMIVZETNR-PMSQYWNTSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds7

About 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine

1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine (PubChem CID 129045607) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
PubChem CID129045607
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
SMILESC=C(/C=C\C(=C/C)CCN1CCC(NC)CC1)OC
InChIInChI=1S/C16H28N2O/c1-5-15(7-6-14(2)19-4)8-11-18-12-9-16(17-3)10-13-18/h5-7,16-17H,2,8-13H2,1,3-4H3/b7-6-,15-5+
InChIKeyHNVSQUMIVZETNR-PMSQYWNTSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(4-Methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355047
1-[(2R)-4-aminobutan-2-yl]-N-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidin-4-amine
CID 68973597
3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
CID 123227496
3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine
CID 123983293
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
CID 142939394
(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
CID 143024917
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
ethane;1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine
CID 143586095
(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
CID 143615637
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116
1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane
CID 143623246

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine (CID 129045607) is 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine is C=C(/C=C\C(=C/C)CCN1CCC(NC)CC1)OC.
What is the InChIKey of 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine?
The InChIKey is HNVSQUMIVZETNR-PMSQYWNTSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-15(7-6-14(2)19-4)8-11-18-12-9-16(17-3)10-13-18/h5-7,16-17H,2,8-13H2,1,3-4H3/b7-6-,15-5+.
What are the key properties of 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine?
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 129045607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).