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

C13H23N3 — CID 61476406

IUPAC2-N-octan-2-ylpyridine-2,3-diamine
SMILESCCCCCCC(C)Nc1ncccc1N
InChIInChI=1S/C13H23N3/c1-3-4-5-6-8-11(2)16-13-12(14)9-7-10-15-13/h7,9-11H,3-6,8,14H2,1-2H3,(H,15,16)
InChIKeyHTEVGMJKWJARJA-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.43
Rot. Bonds7

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

2-N-octan-2-ylpyridine-2,3-diamine (PubChem CID 61476406) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-octan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-octan-2-ylpyridine-2,3-diamine
PubChem CID61476406
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-octan-2-ylpyridine-2,3-diamine
SMILESCCCCCCC(C)Nc1ncccc1N
InChIInChI=1S/C13H23N3/c1-3-4-5-6-8-11(2)16-13-12(14)9-7-10-15-13/h7,9-11H,3-6,8,14H2,1-2H3,(H,15,16)
InChIKeyHTEVGMJKWJARJA-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

Computed Properties (RDKit)

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

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Related Compounds

2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030
N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63541338
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 93081574
2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 43498948
2-[(heptan-2-ylamino)methyl]pyridin-3-amine
CID 104739927
6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
N-undecan-2-ylquinazolin-4-amine
CID 86111387
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
CID 63076426
N-octan-2-ylpyridazin-3-amine
CID 62481019
N-heptan-2-ylquinazolin-4-amine
CID 54950682

Frequently Asked Questions

What is the IUPAC name of 2-N-octan-2-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-octan-2-ylpyridine-2,3-diamine (CID 61476406) is 2-N-octan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-octan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-octan-2-ylpyridine-2,3-diamine is CCCCCCC(C)Nc1ncccc1N.
What is the InChIKey of 2-N-octan-2-ylpyridine-2,3-diamine?
The InChIKey is HTEVGMJKWJARJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-5-6-8-11(2)16-13-12(14)9-7-10-15-13/h7,9-11H,3-6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-octan-2-ylpyridine-2,3-diamine?
2-N-octan-2-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 2-N-octan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 61476406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).