6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine

C12H19N3 — CID 114541691

IUPAC6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
SMILESCC1(C)CCC(Nc2cccc(N)n2)C1
InChIInChI=1S/C12H19N3/c1-12(2)7-6-9(8-12)14-11-5-3-4-10(13)15-11/h3-5,9H,6-8H2,1-2H3,(H3,13,14,15)
InChIKeyHLFMQCNOBIRZLS-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.65
Rot. Bonds2

About 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine

6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine (PubChem CID 114541691) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
PubChem CID114541691
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
SMILESCC1(C)CCC(Nc2cccc(N)n2)C1
InChIInChI=1S/C12H19N3/c1-12(2)7-6-9(8-12)14-11-5-3-4-10(13)15-11/h3-5,9H,6-8H2,1-2H3,(H3,13,14,15)
InChIKeyHLFMQCNOBIRZLS-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine (CID 114541691) is 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine is CC1(C)CCC(Nc2cccc(N)n2)C1.
What is the InChIKey of 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine?
The InChIKey is HLFMQCNOBIRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2)7-6-9(8-12)14-11-5-3-4-10(13)15-11/h3-5,9H,6-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine?
6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine is sourced from PubChem (CID 114541691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).