(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine

C16H28N2O — CID 143615637

IUPAC(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
SMILESC=C/C(=C\C=C(/C)CC(N)CN1CCCCC1)OC
InChIInChI=1S/C16H28N2O/c1-4-16(19-3)9-8-14(2)12-15(17)13-18-10-6-5-7-11-18/h4,8-9,15H,1,5-7,10-13,17H2,2-3H3/b14-8+,16-9+
InChIKeyFGMVSJWDTXSPOX-JTHWEQIXSA-N
MW264.41 g/mol
LogP2.85
Rot. Bonds7

About (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine

(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine (PubChem CID 143615637) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine.

Molecular Properties

Compound Name(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
PubChem CID143615637
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
SMILESC=C/C(=C\C=C(/C)CC(N)CN1CCCCC1)OC
InChIInChI=1S/C16H28N2O/c1-4-16(19-3)9-8-14(2)12-15(17)13-18-10-6-5-7-11-18/h4,8-9,15H,1,5-7,10-13,17H2,2-3H3/b14-8+,16-9+
InChIKeyFGMVSJWDTXSPOX-JTHWEQIXSA-N
XLogP2.85
TPSA38.49 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 ≤ 52.85
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
(4-Methoxy-1-piperidin-1-ylcyclohexa-2,4-dien-1-yl)methanamine
CID 70021067
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
5-[(3-Methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane
CID 91030497
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-[(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
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116
2-[(4E,6Z)-8-methoxy-4,7-dimethylnona-4,6,8-trienyl]piperazine
CID 145513232
1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
CID 143623493

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine?
The IUPAC name of (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine (CID 143615637) is (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine.
What is the SMILES notation for (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine?
The canonical SMILES for (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine is C=C/C(=C\C=C(/C)CC(N)CN1CCCCC1)OC.
What is the InChIKey of (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine?
The InChIKey is FGMVSJWDTXSPOX-JTHWEQIXSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-16(19-3)9-8-14(2)12-15(17)13-18-10-6-5-7-11-18/h4,8-9,15H,1,5-7,10-13,17H2,2-3H3/b14-8+,16-9+.
What are the key properties of (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine?
(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine is sourced from PubChem (CID 143615637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).