N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine

C20H29N3 — CID 134379605

IUPACN-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine
SMILESC=C/C(=C\C(=N/N(C)C)c1cc(C)ccc1C)N1CCCCC1
InChIInChI=1S/C20H29N3/c1-6-18(23-12-8-7-9-13-23)15-20(21-22(4)5)19-14-16(2)10-11-17(19)3/h6,10-11,14-15H,1,7-9,12-13H2,2-5H3/b18-15+,21-20+
InChIKeyOJDLYDRAAJVYHQ-YJHHGKIBSA-N
MW311.47 g/mol
LogP4.12
Rot. Bonds5

About N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine

N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine (PubChem CID 134379605) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine
PubChem CID134379605
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine
SMILESC=C/C(=C\C(=N/N(C)C)c1cc(C)ccc1C)N1CCCCC1
InChIInChI=1S/C20H29N3/c1-6-18(23-12-8-7-9-13-23)15-20(21-22(4)5)19-14-16(2)10-11-17(19)3/h6,10-11,14-15H,1,7-9,12-13H2,2-5H3/b18-15+,21-20+
InChIKeyOJDLYDRAAJVYHQ-YJHHGKIBSA-N
XLogP4.12
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine (CID 134379605) is N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine is C=C/C(=C\C(=N/N(C)C)c1cc(C)ccc1C)N1CCCCC1.
What is the InChIKey of N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine?
The InChIKey is OJDLYDRAAJVYHQ-YJHHGKIBSA-N. The full InChI is InChI=1S/C20H29N3/c1-6-18(23-12-8-7-9-13-23)15-20(21-22(4)5)19-14-16(2)10-11-17(19)3/h6,10-11,14-15H,1,7-9,12-13H2,2-5H3/b18-15+,21-20+.
What are the key properties of N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine?
N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine has a molecular weight of 311.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 134379605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).