1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine

C23H32N4 — CID 167281226

IUPAC1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine
SMILESC=C/C=C(/C=C/C(C)=N/N=C(\C)C1=CC=C(C)C1)NC1CCC(C)=CN1C
InChIInChI=1S/C23H32N4/c1-7-8-22(24-23-14-10-18(3)16-27(23)6)13-11-19(4)25-26-20(5)21-12-9-17(2)15-21/h7-9,11-13,16,23-24H,1,10,14-15H2,2-6H3/b13-11+,22-8-,25-19+,26-20+
InChIKeyUQYDUQVDYVGALK-MXMCVOPBSA-N
MW364.54 g/mol
LogP5.27
Rot. Bonds7

About 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine

1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine (PubChem CID 167281226) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine
PubChem CID167281226
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine
SMILESC=C/C=C(/C=C/C(C)=N/N=C(\C)C1=CC=C(C)C1)NC1CCC(C)=CN1C
InChIInChI=1S/C23H32N4/c1-7-8-22(24-23-14-10-18(3)16-27(23)6)13-11-19(4)25-26-20(5)21-12-9-17(2)15-21/h7-9,11-13,16,23-24H,1,10,14-15H2,2-6H3/b13-11+,22-8-,25-19+,26-20+
InChIKeyUQYDUQVDYVGALK-MXMCVOPBSA-N
XLogP5.27
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine?
The IUPAC name of 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine (CID 167281226) is 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine?
The canonical SMILES for 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine is C=C/C=C(/C=C/C(C)=N/N=C(\C)C1=CC=C(C)C1)NC1CCC(C)=CN1C.
What is the InChIKey of 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine?
The InChIKey is UQYDUQVDYVGALK-MXMCVOPBSA-N. The full InChI is InChI=1S/C23H32N4/c1-7-8-22(24-23-14-10-18(3)16-27(23)6)13-11-19(4)25-26-20(5)21-12-9-17(2)15-21/h7-9,11-13,16,23-24H,1,10,14-15H2,2-6H3/b13-11+,22-8-,25-19+,26-20+.
What are the key properties of 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine?
1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine has a molecular weight of 364.54 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3Z,5E,7E)-7-[(E)-1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidenehydrazinylidene]octa-1,3,5-trien-4-yl]-3,4-dihydro-2H-pyridin-2-amine is sourced from PubChem (CID 167281226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).