1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine

C17H30N2O — CID 165394533

IUPAC1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C=C(\C(=C)CCC)N1CCC(N(C)C)CC1)OC
InChIInChI=1S/C17H30N2O/c1-7-8-14(2)17(13-15(3)20-6)19-11-9-16(10-12-19)18(4)5/h13,16H,2-3,7-12H2,1,4-6H3/b17-13+
InChIKeyJFWCXBSQGLEQBD-GHRIWEEISA-N
MW278.44 g/mol
LogP3.41
Rot. Bonds7

About 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine

1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 165394533) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID165394533
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C=C(\C(=C)CCC)N1CCC(N(C)C)CC1)OC
InChIInChI=1S/C17H30N2O/c1-7-8-14(2)17(13-15(3)20-6)19-11-9-16(10-12-19)18(4)5/h13,16H,2-3,7-12H2,1,4-6H3/b17-13+
InChIKeyJFWCXBSQGLEQBD-GHRIWEEISA-N
XLogP3.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
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

1-(3-Methoxycyclohexa-1,3-dien-1-yl)-2-methylpiperidine
CID 89569259
2-(2-Methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
CID 123572370
3-[Ethyl(methyl)amino]propyl-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]-dimethylazanium
CID 123996601
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
(Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine
CID 139395035
ethane;5-ethenyl-6-[(Z)-3-methoxyprop-1-enyl]-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-4-amine
CID 141781946
(Z,3E)-3-(1,6-dimethyl-3-methylidenepiperidin-2-ylidene)-2-methoxyprop-1-en-1-ol
CID 141886490
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
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116
(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
CID 143866535
3-N,3-N-diethyl-1-N-[(2E,4E)-4-methoxy-5-methylhepta-2,4-dien-2-yl]-1-N-methylbutane-1,3-diamine
CID 143900110

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine (CID 165394533) is 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine is C=C(/C=C(\C(=C)CCC)N1CCC(N(C)C)CC1)OC.
What is the InChIKey of 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is JFWCXBSQGLEQBD-GHRIWEEISA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-8-14(2)17(13-15(3)20-6)19-11-9-16(10-12-19)18(4)5/h13,16H,2-3,7-12H2,1,4-6H3/b17-13+.
What are the key properties of 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 165394533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).