4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine

C22H32N2 — CID 58467868

IUPAC4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine
SMILESCCC(CCc1ccnc(N)c1)CC(C)CCc1cccc(C)c1
InChIInChI=1S/C22H32N2/c1-4-19(10-11-21-12-13-24-22(23)16-21)14-18(3)8-9-20-7-5-6-17(2)15-20/h5-7,12-13,15-16,18-19H,4,8-11,14H2,1-3H3,(H2,23,24)
InChIKeyJSMYFQGOWKMXEK-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.59
Rot. Bonds9

About 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine

4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine (PubChem CID 58467868) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine
PubChem CID58467868
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine
SMILESCCC(CCc1ccnc(N)c1)CC(C)CCc1cccc(C)c1
InChIInChI=1S/C22H32N2/c1-4-19(10-11-21-12-13-24-22(23)16-21)14-18(3)8-9-20-7-5-6-17(2)15-20/h5-7,12-13,15-16,18-19H,4,8-11,14H2,1-3H3,(H2,23,24)
InChIKeyJSMYFQGOWKMXEK-UHFFFAOYSA-N
XLogP5.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-[2-hydrazinyl-3-(3-methylphenyl)propyl]pyridin-2-amine
CID 105208933
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline
CID 58467917
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
CID 114201728
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
[4-ethyl-1-(3-methylphenyl)hexan-3-yl]hydrazine
CID 105324156
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
4-ethyl-1-(3-methylphenyl)octan-2-amine
CID 63414791
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
5-(3-methylphenyl)pentan-2-amine
CID 64502928

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine?
The IUPAC name of 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine (CID 58467868) is 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine?
The canonical SMILES for 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine is CCC(CCc1ccnc(N)c1)CC(C)CCc1cccc(C)c1.
What is the InChIKey of 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine?
The InChIKey is JSMYFQGOWKMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-4-19(10-11-21-12-13-24-22(23)16-21)14-18(3)8-9-20-7-5-6-17(2)15-20/h5-7,12-13,15-16,18-19H,4,8-11,14H2,1-3H3,(H2,23,24).
What are the key properties of 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine?
4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine has a molecular weight of 324.51 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine is sourced from PubChem (CID 58467868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).