2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine

C16H27N3O — CID 63820939

IUPAC2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCC2(C)CCCC2)ccc1N
InChIInChI=1S/C16H27N3O/c1-12(2)10-20-15-13(17)6-7-14(19-15)18-11-16(3)8-4-5-9-16/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeySPQWUYNBZBWXHF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 63820939) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID63820939
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCC2(C)CCCC2)ccc1N
InChIInChI=1S/C16H27N3O/c1-12(2)10-20-15-13(17)6-7-14(19-15)18-11-16(3)8-4-5-9-16/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeySPQWUYNBZBWXHF-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 63820939) is 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine is CC(C)COc1nc(NCC2(C)CCCC2)ccc1N.
What is the InChIKey of 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is SPQWUYNBZBWXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)10-20-15-13(17)6-7-14(19-15)18-11-16(3)8-4-5-9-16/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 63820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).