2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine

C16H27N3O — CID 107397151

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCCN(CC1CCC1)c1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H27N3O/c1-4-19(10-13-6-5-7-13)15-9-8-14(17)16(18-15)20-11-12(2)3/h8-9,12-13H,4-7,10-11,17H2,1-3H3
InChIKeyYLXSCQPGGHTOJL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.33
Rot. Bonds7

About 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 107397151) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID107397151
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCCN(CC1CCC1)c1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H27N3O/c1-4-19(10-13-6-5-7-13)15-9-8-14(17)16(18-15)20-11-12(2)3/h8-9,12-13H,4-7,10-11,17H2,1-3H3
InChIKeyYLXSCQPGGHTOJL-UHFFFAOYSA-N
XLogP3.33
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(cyclopropylmethyl)-6-(2-methylpropoxy)-2-N-propan-2-ylpyridine-2,5-diamine
CID 63403160
2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63725262
2-N-butan-2-yl-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43274239
2-N-ethyl-2-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 61423455
2-N-(cyclobutylmethyl)-6-(cyclopropylmethoxy)-2-N-methylpyridine-2,5-diamine
CID 62861126
2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine
CID 63402666
6-N-(cyclobutylmethyl)-6-N-ethylpyridine-2,6-diamine
CID 107402993
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 61433721
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43648541
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
6-[2-(diethylamino)ethoxy]-2-(2-methylpropoxy)pyridin-3-amine
CID 61103240
2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79865603

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 107397151) is 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine is CCN(CC1CCC1)c1ccc(N)c(OCC(C)C)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is YLXSCQPGGHTOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(10-13-6-5-7-13)15-9-8-14(17)16(18-15)20-11-12(2)3/h8-9,12-13H,4-7,10-11,17H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 107397151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).