N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine

C21H28N2 — CID 171548736

IUPACN-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)c(-c2cccc(NCC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C21H28N2/c1-15-12-16(2)21(17(3)13-15)19-10-7-11-20(23-19)22-14-18-8-5-4-6-9-18/h7,10-13,18H,4-6,8-9,14H2,1-3H3,(H,22,23)
InChIKeyAELIHKSCEQGTNH-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.67
Rot. Bonds4

About N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine

N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine (PubChem CID 171548736) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine
PubChem CID171548736
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)c(-c2cccc(NCC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C21H28N2/c1-15-12-16(2)21(17(3)13-15)19-10-7-11-20(23-19)22-14-18-8-5-4-6-9-18/h7,10-13,18H,4-6,8-9,14H2,1-3H3,(H,22,23)
InChIKeyAELIHKSCEQGTNH-UHFFFAOYSA-N
XLogP5.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 155088007
N-(cyclohexylmethyl)-6-fluoropyridin-2-amine
CID 61227626
6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine
CID 58127366
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
N-(cyclohexylmethyl)-5-methylpyridazin-3-amine
CID 106549505
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510
N-(cyclopropylmethyl)-6-propan-2-ylpyridin-2-amine
CID 153463785
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(cyclohexylmethyl)-4-methyl-1H-indazol-3-amine
CID 91277136

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine (CID 171548736) is N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine is Cc1cc(C)c(-c2cccc(NCC3CCCCC3)n2)c(C)c1.
What is the InChIKey of N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
The InChIKey is AELIHKSCEQGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-15-12-16(2)21(17(3)13-15)19-10-7-11-20(23-19)22-14-18-8-5-4-6-9-18/h7,10-13,18H,4-6,8-9,14H2,1-3H3,(H,22,23).
What are the key properties of N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine has a molecular weight of 308.47 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine is sourced from PubChem (CID 171548736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).