N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine

C20H28N2 — CID 143040837

IUPACN-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/C=C(C)/C(C)=C/N(Cc1ccccc1)C1=C(C)CNCC1
InChIInChI=1S/C20H28N2/c1-5-16(2)18(4)14-22(15-19-9-7-6-8-10-19)20-11-12-21-13-17(20)3/h5-10,14,21H,11-13,15H2,1-4H3/b16-5+,18-14+
InChIKeyNDVQNAHWHFYHQL-XOQLVIOASA-N
MW296.46 g/mol
LogP4.63
Rot. Bonds5

About N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine

N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 143040837) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID143040837
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/C=C(C)/C(C)=C/N(Cc1ccccc1)C1=C(C)CNCC1
InChIInChI=1S/C20H28N2/c1-5-16(2)18(4)14-22(15-19-9-7-6-8-10-19)20-11-12-21-13-17(20)3/h5-10,14,21H,11-13,15H2,1-4H3/b16-5+,18-14+
InChIKeyNDVQNAHWHFYHQL-XOQLVIOASA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine (CID 143040837) is N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine is C/C=C(C)/C(C)=C/N(Cc1ccccc1)C1=C(C)CNCC1.
What is the InChIKey of N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is NDVQNAHWHFYHQL-XOQLVIOASA-N. The full InChI is InChI=1S/C20H28N2/c1-5-16(2)18(4)14-22(15-19-9-7-6-8-10-19)20-11-12-21-13-17(20)3/h5-10,14,21H,11-13,15H2,1-4H3/b16-5+,18-14+.
What are the key properties of N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine?
N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 296.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 143040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).