2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine

C13H21N3 — CID 64922502

IUPAC2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
SMILESCCC1CCC(Nc2ccc(N)cn2)C1C
InChIInChI=1S/C13H21N3/c1-3-10-4-6-12(9(10)2)16-13-7-5-11(14)8-15-13/h5,7-10,12H,3-4,6,14H2,1-2H3,(H,15,16)
InChIKeyUAHJSNFFINOPKS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds3

About 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine

2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine (PubChem CID 64922502) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
PubChem CID64922502
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
SMILESCCC1CCC(Nc2ccc(N)cn2)C1C
InChIInChI=1S/C13H21N3/c1-3-10-4-6-12(9(10)2)16-13-7-5-11(14)8-15-13/h5,7-10,12H,3-4,6,14H2,1-2H3,(H,15,16)
InChIKeyUAHJSNFFINOPKS-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine (CID 64922502) is 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine is CCC1CCC(Nc2ccc(N)cn2)C1C.
What is the InChIKey of 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine?
The InChIKey is UAHJSNFFINOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-10-4-6-12(9(10)2)16-13-7-5-11(14)8-15-13/h5,7-10,12H,3-4,6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine?
2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine is sourced from PubChem (CID 64922502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).