1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine

C19H31N3 — CID 123489930

IUPAC1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine
SMILESC=CN1CCC(N(C)C=CC(=C)/C=N/C=C(C)CCC)CC1
InChIInChI=1S/C19H31N3/c1-6-8-17(3)15-20-16-18(4)9-12-21(5)19-10-13-22(7-2)14-11-19/h7,9,12,15-16,19H,2,4,6,8,10-11,13-14H2,1,3,5H3/b12-9?,17-15?,20-16+
InChIKeyBZWRWVYVBGOIMW-PKKWUNFJSA-N
MW301.48 g/mol
LogP4.37
Rot. Bonds8

About 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine

1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine (PubChem CID 123489930) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine
PubChem CID123489930
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine
SMILESC=CN1CCC(N(C)C=CC(=C)/C=N/C=C(C)CCC)CC1
InChIInChI=1S/C19H31N3/c1-6-8-17(3)15-20-16-18(4)9-12-21(5)19-10-13-22(7-2)14-11-19/h7,9,12,15-16,19H,2,4,6,8,10-11,13-14H2,1,3,5H3/b12-9?,17-15?,20-16+
InChIKeyBZWRWVYVBGOIMW-PKKWUNFJSA-N
XLogP4.37
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine?
The IUPAC name of 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine (CID 123489930) is 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine.
What is the SMILES notation for 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine?
The canonical SMILES for 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine is C=CN1CCC(N(C)C=CC(=C)/C=N/C=C(C)CCC)CC1.
What is the InChIKey of 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine?
The InChIKey is BZWRWVYVBGOIMW-PKKWUNFJSA-N. The full InChI is InChI=1S/C19H31N3/c1-6-8-17(3)15-20-16-18(4)9-12-21(5)19-10-13-22(7-2)14-11-19/h7,9,12,15-16,19H,2,4,6,8,10-11,13-14H2,1,3,5H3/b12-9?,17-15?,20-16+.
What are the key properties of 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine?
1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine has a molecular weight of 301.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine is sourced from PubChem (CID 123489930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).