(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine

C27H46N4 — CID 143280032

IUPAC(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CN1CCC(N2CCN(C/C(C)=C\C(C)=C/N)CC2CC)CC1
InChIInChI=1S/C27H46N4/c1-7-22(3)9-10-23(4)19-29-13-11-27(12-14-29)31-16-15-30(21-26(31)8-2)20-25(6)17-24(5)18-28/h7,9-10,17-18,26-27H,1,8,11-16,19-21,28H2,2-6H3/b22-9-,23-10+,24-18-,25-17-
InChIKeyIUIVBDTXZIYUQC-ILRULXIJSA-N
MW426.69 g/mol
LogP4.73
Rot. Bonds9

About (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine

(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine (PubChem CID 143280032) has the molecular formula C27H46N4 and a molecular weight of 426.69 g/mol. Its IUPAC name is (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine
PubChem CID143280032
Molecular FormulaC27H46N4
Molecular Weight426.69 g/mol
Exact Mass426.37
IUPAC Name(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CN1CCC(N2CCN(C/C(C)=C\C(C)=C/N)CC2CC)CC1
InChIInChI=1S/C27H46N4/c1-7-22(3)9-10-23(4)19-29-13-11-27(12-14-29)31-16-15-30(21-26(31)8-2)20-25(6)17-24(5)18-28/h7,9-10,17-18,26-27H,1,8,11-16,19-21,28H2,2-6H3/b22-9-,23-10+,24-18-,25-17-
InChIKeyIUIVBDTXZIYUQC-ILRULXIJSA-N
XLogP4.73
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine (CID 143280032) is (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine is C=C/C(C)=C\C=C(/C)CN1CCC(N2CCN(C/C(C)=C\C(C)=C/N)CC2CC)CC1.
What is the InChIKey of (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine?
The InChIKey is IUIVBDTXZIYUQC-ILRULXIJSA-N. The full InChI is InChI=1S/C27H46N4/c1-7-22(3)9-10-23(4)19-29-13-11-27(12-14-29)31-16-15-30(21-26(31)8-2)20-25(6)17-24(5)18-28/h7,9-10,17-18,26-27H,1,8,11-16,19-21,28H2,2-6H3/b22-9-,23-10+,24-18-,25-17-.
What are the key properties of (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine?
(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine has a molecular weight of 426.69 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 143280032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).