1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine

C30H36N2 — CID 155050757

IUPAC1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine
SMILESC=C(NCc1ccc(CC)c(C)c1)c1cc(-c2ncccc2CC)ccc1CCC1CC1
InChIInChI=1S/C30H36N2/c1-5-25-13-12-24(18-21(25)3)20-32-22(4)29-19-28(30-26(6-2)8-7-17-31-30)16-15-27(29)14-11-23-9-10-23/h7-8,12-13,15-19,23,32H,4-6,9-11,14,20H2,1-3H3
InChIKeyQTJLTTXLVWGEMY-UHFFFAOYSA-N
MW424.63 g/mol
LogP7.28
Rot. Bonds10

About 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine

1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine (PubChem CID 155050757) has the molecular formula C30H36N2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine
PubChem CID155050757
Molecular FormulaC30H36N2
Molecular Weight424.63 g/mol
Exact Mass424.29
IUPAC Name1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine
SMILESC=C(NCc1ccc(CC)c(C)c1)c1cc(-c2ncccc2CC)ccc1CCC1CC1
InChIInChI=1S/C30H36N2/c1-5-25-13-12-24(18-21(25)3)20-32-22(4)29-19-28(30-26(6-2)8-7-17-31-30)16-15-27(29)14-11-23-9-10-23/h7-8,12-13,15-19,23,32H,4-6,9-11,14,20H2,1-3H3
InChIKeyQTJLTTXLVWGEMY-UHFFFAOYSA-N
XLogP7.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine with MolForge

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Related Compounds

2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
CID 126629412
2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 126629419
4-(2-cyclopropylethyl)-1-ethyl-2-prop-1-en-2-ylbenzene
CID 143183881
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
CID 144908491
1-[2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone
CID 123689350
N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propylsulfanylbenzamide
CID 126629391
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-2-methylpropanoate
CID 118336008
3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine
CID 102306108
2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001590
2-methyl-1,4-bis[2-(4-nonylcyclohexyl)ethyl]benzene
CID 19008279
N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
CID 138509717
2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene
CID 18649509

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine?
The IUPAC name of 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine (CID 155050757) is 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine.
What is the SMILES notation for 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine?
The canonical SMILES for 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine is C=C(NCc1ccc(CC)c(C)c1)c1cc(-c2ncccc2CC)ccc1CCC1CC1.
What is the InChIKey of 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine?
The InChIKey is QTJLTTXLVWGEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2/c1-5-25-13-12-24(18-21(25)3)20-32-22(4)29-19-28(30-26(6-2)8-7-17-31-30)16-15-27(29)14-11-23-9-10-23/h7-8,12-13,15-19,23,32H,4-6,9-11,14,20H2,1-3H3.
What are the key properties of 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine?
1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine has a molecular weight of 424.63 g/mol, XLogP of 7.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethyl)-5-(3-ethyl-2-pyridinyl)phenyl]-N-[(4-ethyl-3-methylphenyl)methyl]ethenamine is sourced from PubChem (CID 155050757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).