N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine

C19H24N2 — CID 138509717

IUPACN-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
SMILESC=C(NCc1ccc(CC)cc1CC)c1ccncc1C
InChIInChI=1S/C19H24N2/c1-5-16-7-8-18(17(6-2)11-16)13-21-15(4)19-9-10-20-12-14(19)3/h7-12,21H,4-6,13H2,1-3H3
InChIKeyXUCHHNLSZISSQR-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.28
Rot. Bonds6

About N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine

N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine (PubChem CID 138509717) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine.

Molecular Properties

Compound NameN-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
PubChem CID138509717
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
SMILESC=C(NCc1ccc(CC)cc1CC)c1ccncc1C
InChIInChI=1S/C19H24N2/c1-5-16-7-8-18(17(6-2)11-16)13-21-15(4)19-9-10-20-12-14(19)3/h7-12,21H,4-6,13H2,1-3H3
InChIKeyXUCHHNLSZISSQR-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
The IUPAC name of N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine (CID 138509717) is N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine.
What is the SMILES notation for N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
The canonical SMILES for N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine is C=C(NCc1ccc(CC)cc1CC)c1ccncc1C.
What is the InChIKey of N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
The InChIKey is XUCHHNLSZISSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-16-7-8-18(17(6-2)11-16)13-21-15(4)19-9-10-20-12-14(19)3/h7-12,21H,4-6,13H2,1-3H3.
What are the key properties of N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine has a molecular weight of 280.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine is sourced from PubChem (CID 138509717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).