3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine

C21H31N3O — CID 142655771

IUPAC3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
SMILESCCC(CC)Oc1nc(C)cc(Nc2c(C)cc(C)cc2C)c1CN
InChIInChI=1S/C21H31N3O/c1-7-17(8-2)25-21-18(12-22)19(11-16(6)23-21)24-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12,22H2,1-6H3,(H,23,24)
InChIKeyRHGZPISMJJSXEE-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.08
Rot. Bonds7

About 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine

3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine (PubChem CID 142655771) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
PubChem CID142655771
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
SMILESCCC(CC)Oc1nc(C)cc(Nc2c(C)cc(C)cc2C)c1CN
InChIInChI=1S/C21H31N3O/c1-7-17(8-2)25-21-18(12-22)19(11-16(6)23-21)24-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12,22H2,1-6H3,(H,23,24)
InChIKeyRHGZPISMJJSXEE-UHFFFAOYSA-N
XLogP5.08
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 139568782
2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide
CID 25158221
[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol
CID 174456052
[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine
CID 61174976
2-N,3-N,6-N,7-N,10-N,11-N-hexakis(2,4,6-trimethylphenyl)triphenylene-2,3,6,7,10,11-hexamine
CID 122204956
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
CID 107546191
2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
2,5-dimethyl-4-pentan-3-yloxypyrimidine
CID 11535739
6-methyl-1-pentan-3-yl-N-(2,4,6-trimethylphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 22253394
3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine
CID 18386611

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine (CID 142655771) is 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine is CCC(CC)Oc1nc(C)cc(Nc2c(C)cc(C)cc2C)c1CN.
What is the InChIKey of 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine?
The InChIKey is RHGZPISMJJSXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-7-17(8-2)25-21-18(12-22)19(11-16(6)23-21)24-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12,22H2,1-6H3,(H,23,24).
What are the key properties of 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine?
3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine has a molecular weight of 341.50 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine is sourced from PubChem (CID 142655771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).