1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine

C17H32N2O — CID 143623493

IUPAC1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
SMILESCC/C=C(\C=C/C(C)C(C)N1CCC(NC)CC1)OC
InChIInChI=1S/C17H32N2O/c1-6-7-17(20-5)9-8-14(2)15(3)19-12-10-16(18-4)11-13-19/h7-9,14-16,18H,6,10-13H2,1-5H3/b9-8-,17-7+
InChIKeyYBUSBRRAKQTFLE-XREYBLJHSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds7

About 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine

1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine (PubChem CID 143623493) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
PubChem CID143623493
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
SMILESCC/C=C(\C=C/C(C)C(C)N1CCC(NC)CC1)OC
InChIInChI=1S/C17H32N2O/c1-6-7-17(20-5)9-8-14(2)15(3)19-12-10-16(18-4)11-13-19/h7-9,14-16,18H,6,10-13H2,1-5H3/b9-8-,17-7+
InChIKeyYBUSBRRAKQTFLE-XREYBLJHSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
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

4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
(3E,5Z)-2,4-dimethoxynona-3,5-diene;ethane;4-methylpiperidine
CID 141941011
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
CID 142939394
1-[1-(3-Methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine
CID 142939410
N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 142950423
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
(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
ethane;4-ethylheptane;methanol;methoxymethane;1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
CID 143623492

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine (CID 143623493) is 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine is CC/C=C(\C=C/C(C)C(C)N1CCC(NC)CC1)OC.
What is the InChIKey of 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine?
The InChIKey is YBUSBRRAKQTFLE-XREYBLJHSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-7-17(20-5)9-8-14(2)15(3)19-12-10-16(18-4)11-13-19/h7-9,14-16,18H,6,10-13H2,1-5H3/b9-8-,17-7+.
What are the key properties of 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine?
1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 143623493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).