3-N-octan-4-ylpyridine-2,3-diamine

C13H23N3 — CID 106022702

IUPAC3-N-octan-4-ylpyridine-2,3-diamine
SMILESCCCCC(CCC)Nc1cccnc1N
InChIInChI=1S/C13H23N3/c1-3-5-8-11(7-4-2)16-12-9-6-10-15-13(12)14/h6,9-11,16H,3-5,7-8H2,1-2H3,(H2,14,15)
InChIKeyVULHZZHEFTZOLD-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.43
Rot. Bonds7

About 3-N-octan-4-ylpyridine-2,3-diamine

3-N-octan-4-ylpyridine-2,3-diamine (PubChem CID 106022702) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-octan-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-octan-4-ylpyridine-2,3-diamine
PubChem CID106022702
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-octan-4-ylpyridine-2,3-diamine
SMILESCCCCC(CCC)Nc1cccnc1N
InChIInChI=1S/C13H23N3/c1-3-5-8-11(7-4-2)16-12-9-6-10-15-13(12)14/h6,9-11,16H,3-5,7-8H2,1-2H3,(H2,14,15)
InChIKeyVULHZZHEFTZOLD-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
N-heptan-4-yl-2-methylpyridin-3-amine
CID 79041717
2-methyl-N-undecan-6-ylpyridin-3-amine
CID 79042417
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
2-N-octan-4-ylpyridine-2,4-diamine
CID 106022683
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
3-[(2-amino-3-pyridinyl)amino]butan-1-ol
CID 104540669
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 104539778
N-octan-4-ylaniline
CID 12779854
2-octan-4-ylpyridin-3-amine
CID 134178133

Frequently Asked Questions

What is the IUPAC name of 3-N-octan-4-ylpyridine-2,3-diamine?
The IUPAC name of 3-N-octan-4-ylpyridine-2,3-diamine (CID 106022702) is 3-N-octan-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-octan-4-ylpyridine-2,3-diamine?
The canonical SMILES for 3-N-octan-4-ylpyridine-2,3-diamine is CCCCC(CCC)Nc1cccnc1N.
What is the InChIKey of 3-N-octan-4-ylpyridine-2,3-diamine?
The InChIKey is VULHZZHEFTZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-8-11(7-4-2)16-12-9-6-10-15-13(12)14/h6,9-11,16H,3-5,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 3-N-octan-4-ylpyridine-2,3-diamine?
3-N-octan-4-ylpyridine-2,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-octan-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 106022702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).