1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine

C20H34N2 — CID 89331026

IUPAC1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine
SMILESC=C/C=C\C(=C/C)C(=C)N1CCC(N(C)C(C)(C)CC)CC1
InChIInChI=1S/C20H34N2/c1-8-11-12-18(9-2)17(4)22-15-13-19(14-16-22)21(7)20(5,6)10-3/h8-9,11-12,19H,1,4,10,13-16H2,2-3,5-7H3/b12-11-,18-9+
InChIKeyWWDHWCSKIFXQAT-YGSXVQRGSA-N
MW302.51 g/mol
LogP4.77
Rot. Bonds7

About 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine

1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine (PubChem CID 89331026) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine
PubChem CID89331026
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine
SMILESC=C/C=C\C(=C/C)C(=C)N1CCC(N(C)C(C)(C)CC)CC1
InChIInChI=1S/C20H34N2/c1-8-11-12-18(9-2)17(4)22-15-13-19(14-16-22)21(7)20(5,6)10-3/h8-9,11-12,19H,1,4,10,13-16H2,2-3,5-7H3/b12-11-,18-9+
InChIKeyWWDHWCSKIFXQAT-YGSXVQRGSA-N
XLogP4.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine (CID 89331026) is 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine is C=C/C=C\C(=C/C)C(=C)N1CCC(N(C)C(C)(C)CC)CC1.
What is the InChIKey of 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine?
The InChIKey is WWDHWCSKIFXQAT-YGSXVQRGSA-N. The full InChI is InChI=1S/C20H34N2/c1-8-11-12-18(9-2)17(4)22-15-13-19(14-16-22)21(7)20(5,6)10-3/h8-9,11-12,19H,1,4,10,13-16H2,2-3,5-7H3/b12-11-,18-9+.
What are the key properties of 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine?
1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine has a molecular weight of 302.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 89331026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).