6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine

C30H39N3 — CID 59678153

IUPAC6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine
SMILESCCc1cc(-c2c(CC)cccc2CC)nc(NC)c1CN(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C30H39N3/c1-6-21-14-11-15-22(7-2)29(21)27-19-23(8-3)26(30(31-4)32-27)20-33(5)28-18-12-16-24-13-9-10-17-25(24)28/h9-11,13-15,17,19,28H,6-8,12,16,18,20H2,1-5H3,(H,31,32)/t28-/m0/s1
InChIKeyLLUHSXUBUXJFQZ-NDEPHWFRSA-N
MW441.66 g/mol
LogP6.99
Rot. Bonds8

About 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine

6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine (PubChem CID 59678153) has the molecular formula C30H39N3 and a molecular weight of 441.66 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine
PubChem CID59678153
Molecular FormulaC30H39N3
Molecular Weight441.66 g/mol
Exact Mass441.31
IUPAC Name6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine
SMILESCCc1cc(-c2c(CC)cccc2CC)nc(NC)c1CN(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C30H39N3/c1-6-21-14-11-15-22(7-2)29(21)27-19-23(8-3)26(30(31-4)32-27)20-33(5)28-18-12-16-24-13-9-10-17-25(24)28/h9-11,13-15,17,19,28H,6-8,12,16,18,20H2,1-5H3,(H,31,32)/t28-/m0/s1
InChIKeyLLUHSXUBUXJFQZ-NDEPHWFRSA-N
XLogP6.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-diethylphenyl)-4-(hydroxymethyl)-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridine-2-carbonitrile
CID 67208844
(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59678158
[6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 66993792
(1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66589600
(2S)-1-[2-(2,6-diethylphenyl)-6-methyl-5-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 91026196
(1S)-N-[[3-butyl-5-chloro-2-(2,6-diethylphenyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58818011
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143518647
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92849825
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine?
The IUPAC name of 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine (CID 59678153) is 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine is CCc1cc(-c2c(CC)cccc2CC)nc(NC)c1CN(C)[C@H]1CCCc2ccccc21.
What is the InChIKey of 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine?
The InChIKey is LLUHSXUBUXJFQZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H39N3/c1-6-21-14-11-15-22(7-2)29(21)27-19-23(8-3)26(30(31-4)32-27)20-33(5)28-18-12-16-24-13-9-10-17-25(24)28/h9-11,13-15,17,19,28H,6-8,12,16,18,20H2,1-5H3,(H,31,32)/t28-/m0/s1.
What are the key properties of 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine?
6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine has a molecular weight of 441.66 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 59678153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).