2-octylpyridin-3-amine

C13H22N2 — CID 23131469

IUPAC2-octylpyridin-3-amine
SMILESCCCCCCCCc1ncccc1N
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-13-12(14)9-8-11-15-13/h8-9,11H,2-7,10,14H2,1H3
InChIKeyKLRCICATIPNJKG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds7

About 2-octylpyridin-3-amine

2-octylpyridin-3-amine (PubChem CID 23131469) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-octylpyridin-3-amine.

Molecular Properties

Compound Name2-octylpyridin-3-amine
PubChem CID23131469
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-octylpyridin-3-amine
SMILESCCCCCCCCc1ncccc1N
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-13-12(14)9-8-11-15-13/h8-9,11H,2-7,10,14H2,1H3
InChIKeyKLRCICATIPNJKG-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-dodecyl-3-ethylpyridine
CID 160514040
3-methoxy-2-octylpyridine
CID 102048148
2-octylpyridine-3-carbonitrile;hydrochloride
CID 175099727
2-[(heptan-2-ylamino)methyl]pyridin-3-amine
CID 104739927
1-dodecylisoquinoline;hydroiodide
CID 173144441
azane;2-butyl-3-methylpyridine
CID 175305988
2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
2-decylbenzene-1,3-diamine
CID 141061522
(3-pentyl-2-pyridinyl)methanol
CID 166644621
2-nonylpyrimidine
CID 23297050
2-tetradecylaniline
CID 22218918
butoxycarbonyl 2-(3-amino-2-pyridinyl)ethanesulfonate
CID 174422554

Frequently Asked Questions

What is the IUPAC name of 2-octylpyridin-3-amine?
The IUPAC name of 2-octylpyridin-3-amine (CID 23131469) is 2-octylpyridin-3-amine.
What is the SMILES notation for 2-octylpyridin-3-amine?
The canonical SMILES for 2-octylpyridin-3-amine is CCCCCCCCc1ncccc1N.
What is the InChIKey of 2-octylpyridin-3-amine?
The InChIKey is KLRCICATIPNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-13-12(14)9-8-11-15-13/h8-9,11H,2-7,10,14H2,1H3.
What are the key properties of 2-octylpyridin-3-amine?
2-octylpyridin-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylpyridin-3-amine is sourced from PubChem (CID 23131469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).