6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine

C15H27N3 — CID 80803403

IUPAC6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
SMILESCCCCCC(C)Nc1cccc(NCCC)n1
InChIInChI=1S/C15H27N3/c1-4-6-7-9-13(3)17-15-11-8-10-14(18-15)16-12-5-2/h8,10-11,13H,4-7,9,12H2,1-3H3,(H2,16,17,18)
InChIKeyQEJSIIZQVQLKFA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.28
Rot. Bonds9

About 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine

6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine (PubChem CID 80803403) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
PubChem CID80803403
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
SMILESCCCCCC(C)Nc1cccc(NCCC)n1
InChIInChI=1S/C15H27N3/c1-4-6-7-9-13(3)17-15-11-8-10-14(18-15)16-12-5-2/h8,10-11,13H,4-7,9,12H2,1-3H3,(H2,16,17,18)
InChIKeyQEJSIIZQVQLKFA-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.28
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

6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
CID 80800465
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
N-hexan-2-yl-6-methylpyridin-2-amine
CID 62199495
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80800524

Frequently Asked Questions

What is the IUPAC name of 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine (CID 80803403) is 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine is CCCCCC(C)Nc1cccc(NCCC)n1.
What is the InChIKey of 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine?
The InChIKey is QEJSIIZQVQLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-7-9-13(3)17-15-11-8-10-14(18-15)16-12-5-2/h8,10-11,13H,4-7,9,12H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine?
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine has a molecular weight of 249.40 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80803403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).