1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine

C36H45N3 — CID 142756129

IUPAC1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine
SMILESCc1ccc(-c2cc(C)nc(CC(C)C)c2CNCc2c(-c3ccc(C)cc3)cc(C)nc2CC(C)C)cc1
InChIInChI=1S/C36H45N3/c1-23(2)17-35-33(31(19-27(7)38-35)29-13-9-25(5)10-14-29)21-37-22-34-32(30-15-11-26(6)12-16-30)20-28(8)39-36(34)18-24(3)4/h9-16,19-20,23-24,37H,17-18,21-22H2,1-8H3
InChIKeyRJKVPUABROOHSB-UHFFFAOYSA-N
MW519.78 g/mol
LogP8.73
Rot. Bonds10

About 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine

1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine (PubChem CID 142756129) has the molecular formula C36H45N3 and a molecular weight of 519.78 g/mol. Its IUPAC name is 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine
PubChem CID142756129
Molecular FormulaC36H45N3
Molecular Weight519.78 g/mol
Exact Mass519.36
IUPAC Name1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine
SMILESCc1ccc(-c2cc(C)nc(CC(C)C)c2CNCc2c(-c3ccc(C)cc3)cc(C)nc2CC(C)C)cc1
InChIInChI=1S/C36H45N3/c1-23(2)17-35-33(31(19-27(7)38-35)29-13-9-25(5)10-14-29)21-37-22-34-32(30-15-11-26(6)12-16-30)20-28(8)39-36(34)18-24(3)4/h9-16,19-20,23-24,37H,17-18,21-22H2,1-8H3
InChIKeyRJKVPUABROOHSB-UHFFFAOYSA-N
XLogP8.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.78
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-pyridinyl]benzoic acid;dihydrochloride
CID 69445220
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
6-[5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-pyridinyl]cyclohexa-2,4-diene-1-carbonyl chloride
CID 142756082
[6-(2-carbamoylphenyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl N-tert-butylcarbamate
CID 91514409
tert-butyl N-[[4-[4-(aminomethyl)phenyl]-6-ethyl-2-(2-methylpropyl)-3-pyridinyl]methyl]carbamate
CID 174553662
2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
CID 71202847
N-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methyl]methanesulfonamide
CID 69444901
[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
CID 69446209
N-[[2-(2-fluoro-5-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107932057
[6-[2-(methylamino)-2-oxoethoxy]-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68829831
2-methyl-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]propan-1-amine
CID 63066291
[2-methyl-4-(4-methylphenyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)-3-pyridinyl] acetate
CID 69367709

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine (CID 142756129) is 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine is Cc1ccc(-c2cc(C)nc(CC(C)C)c2CNCc2c(-c3ccc(C)cc3)cc(C)nc2CC(C)C)cc1.
What is the InChIKey of 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine?
The InChIKey is RJKVPUABROOHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N3/c1-23(2)17-35-33(31(19-27(7)38-35)29-13-9-25(5)10-14-29)21-37-22-34-32(30-15-11-26(6)12-16-30)20-28(8)39-36(34)18-24(3)4/h9-16,19-20,23-24,37H,17-18,21-22H2,1-8H3.
What are the key properties of 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine?
1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine has a molecular weight of 519.78 g/mol, XLogP of 8.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 142756129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).