3-(azocan-1-yl)pyridin-2-amine

C12H19N3 — CID 104539725

IUPAC3-(azocan-1-yl)pyridin-2-amine
SMILESNc1ncccc1N1CCCCCCC1
InChIInChI=1S/C12H19N3/c13-12-11(7-6-8-14-12)15-9-4-2-1-3-5-10-15/h6-8H,1-5,9-10H2,(H2,13,14)
InChIKeyPAVKIWQDLPQYQJ-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.43
Rot. Bonds1

About 3-(azocan-1-yl)pyridin-2-amine

3-(azocan-1-yl)pyridin-2-amine (PubChem CID 104539725) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(azocan-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)pyridin-2-amine
PubChem CID104539725
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(azocan-1-yl)pyridin-2-amine
SMILESNc1ncccc1N1CCCCCCC1
InChIInChI=1S/C12H19N3/c13-12-11(7-6-8-14-12)15-9-4-2-1-3-5-10-15/h6-8H,1-5,9-10H2,(H2,13,14)
InChIKeyPAVKIWQDLPQYQJ-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylazepan-1-yl)pyridin-2-amine
CID 104540390
3-(4-fluoropiperidin-1-yl)pyridin-2-amine
CID 67335941
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 104540507
3-(oxazinan-2-yl)pyridin-2-amine
CID 104540683
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
5-piperidin-1-ylquinoline
CID 12887802
3-piperidin-1-ylpyridine-2-carbaldehyde
CID 84662702
3-[3-(methoxymethyl)piperidin-1-yl]pyridin-2-amine
CID 106585899
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
3-(2,2,6,6-tetramethylmorpholin-4-yl)pyridin-2-amine
CID 102742872

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)pyridin-2-amine?
The IUPAC name of 3-(azocan-1-yl)pyridin-2-amine (CID 104539725) is 3-(azocan-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(azocan-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(azocan-1-yl)pyridin-2-amine is Nc1ncccc1N1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)pyridin-2-amine?
The InChIKey is PAVKIWQDLPQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-12-11(7-6-8-14-12)15-9-4-2-1-3-5-10-15/h6-8H,1-5,9-10H2,(H2,13,14).
What are the key properties of 3-(azocan-1-yl)pyridin-2-amine?
3-(azocan-1-yl)pyridin-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)pyridin-2-amine is sourced from PubChem (CID 104539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).