ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine

C17H32N2O — CID 142167681

IUPACethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
SMILESC=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1.CC
InChIInChI=1S/C15H26N2O.C2H6/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13;1-2/h6,13,16-17H,2-3,5,7-11H2,1,4H3;1-2H3/b15-14-;
InChIKeyOTWIPSIJIYCPDR-BGWNKZQTSA-N
MW280.46 g/mol
LogP3.96
Rot. Bonds7

About ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine

ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine (PubChem CID 142167681) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
PubChem CID142167681
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Nameethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
SMILESC=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1.CC
InChIInChI=1S/C15H26N2O.C2H6/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13;1-2/h6,13,16-17H,2-3,5,7-11H2,1,4H3;1-2H3/b15-14-;
InChIKeyOTWIPSIJIYCPDR-BGWNKZQTSA-N
XLogP3.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
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

6-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610355
buta-1,3-diene;(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine;ethane
CID 155709904
(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
CID 142167682

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
The IUPAC name of ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine (CID 142167681) is ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine.
What is the SMILES notation for ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
The canonical SMILES for ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine is C=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1.CC.
What is the InChIKey of ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
The InChIKey is OTWIPSIJIYCPDR-BGWNKZQTSA-N. The full InChI is InChI=1S/C15H26N2O.C2H6/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13;1-2/h6,13,16-17H,2-3,5,7-11H2,1,4H3;1-2H3/b15-14-;.
What are the key properties of ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine has a molecular weight of 280.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine is sourced from PubChem (CID 142167681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).