3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine

C16H29N3O — CID 81050384

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine
SMILESCCC(CC)N(CCOC)c1cc(C)nc(C)c1CN
InChIInChI=1S/C16H29N3O/c1-6-14(7-2)19(8-9-20-5)16-10-12(3)18-13(4)15(16)11-17/h10,14H,6-9,11,17H2,1-5H3
InChIKeyTXEKMLVHORDZKP-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.80
Rot. Bonds8

About 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine

3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine (PubChem CID 81050384) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine
PubChem CID81050384
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine
SMILESCCC(CC)N(CCOC)c1cc(C)nc(C)c1CN
InChIInChI=1S/C16H29N3O/c1-6-14(7-2)19(8-9-20-5)16-10-12(3)18-13(4)15(16)11-17/h10,14H,6-9,11,17H2,1-5H3
InChIKeyTXEKMLVHORDZKP-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
2-N-(2-methoxyethyl)-5-methyl-2-N-pentan-3-ylpyridine-2,4-diamine
CID 83265340
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 114072484
1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 114041232
6-hydrazinyl-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80900949
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
CID 55004103
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991366
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol
CID 55038447
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657862

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine (CID 81050384) is 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine is CCC(CC)N(CCOC)c1cc(C)nc(C)c1CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
The InChIKey is TXEKMLVHORDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-14(7-2)19(8-9-20-5)16-10-12(3)18-13(4)15(16)11-17/h10,14H,6-9,11,17H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine is sourced from PubChem (CID 81050384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).