6-N-cycloheptylpyridine-2,6-diamine

C12H19N3 — CID 80647951

IUPAC6-N-cycloheptylpyridine-2,6-diamine
SMILESNc1cccc(NC2CCCCCC2)n1
InChIInChI=1S/C12H19N3/c13-11-8-5-9-12(15-11)14-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H3,13,14,15)
InChIKeyFVEXMOHHVBVIJI-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.80
Rot. Bonds2

About 6-N-cycloheptylpyridine-2,6-diamine

6-N-cycloheptylpyridine-2,6-diamine (PubChem CID 80647951) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-N-cycloheptylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cycloheptylpyridine-2,6-diamine
PubChem CID80647951
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-N-cycloheptylpyridine-2,6-diamine
SMILESNc1cccc(NC2CCCCCC2)n1
InChIInChI=1S/C12H19N3/c13-11-8-5-9-12(15-11)14-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H3,13,14,15)
InChIKeyFVEXMOHHVBVIJI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptylpyridine-2,6-diamine?
The IUPAC name of 6-N-cycloheptylpyridine-2,6-diamine (CID 80647951) is 6-N-cycloheptylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-cycloheptylpyridine-2,6-diamine?
The canonical SMILES for 6-N-cycloheptylpyridine-2,6-diamine is Nc1cccc(NC2CCCCCC2)n1.
What is the InChIKey of 6-N-cycloheptylpyridine-2,6-diamine?
The InChIKey is FVEXMOHHVBVIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-11-8-5-9-12(15-11)14-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H3,13,14,15).
What are the key properties of 6-N-cycloheptylpyridine-2,6-diamine?
6-N-cycloheptylpyridine-2,6-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptylpyridine-2,6-diamine is sourced from PubChem (CID 80647951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).