2-N,6-N-dipentylpyridine-2,6-diamine

C15H27N3 — CID 66709787

IUPAC2-N,6-N-dipentylpyridine-2,6-diamine
SMILESCCCCCNc1cccc(NCCCCC)n1
InChIInChI=1S/C15H27N3/c1-3-5-7-12-16-14-10-9-11-15(18-14)17-13-8-6-4-2/h9-11H,3-8,12-13H2,1-2H3,(H2,16,17,18)
InChIKeyFICPLVZERIFUAZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.29
Rot. Bonds10

About 2-N,6-N-dipentylpyridine-2,6-diamine

2-N,6-N-dipentylpyridine-2,6-diamine (PubChem CID 66709787) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N,6-N-dipentylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dipentylpyridine-2,6-diamine
PubChem CID66709787
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N,6-N-dipentylpyridine-2,6-diamine
SMILESCCCCCNc1cccc(NCCCCC)n1
InChIInChI=1S/C15H27N3/c1-3-5-7-12-16-14-10-9-11-15(18-14)17-13-8-6-4-2/h9-11H,3-8,12-13H2,1-2H3,(H2,16,17,18)
InChIKeyFICPLVZERIFUAZ-UHFFFAOYSA-N
XLogP4.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.29
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

1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
N-dodecylquinolin-2-amine
CID 160510159
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide
CID 71727897
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
N-butylpyridin-2-amine
CID 14322668

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dipentylpyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-dipentylpyridine-2,6-diamine (CID 66709787) is 2-N,6-N-dipentylpyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dipentylpyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dipentylpyridine-2,6-diamine is CCCCCNc1cccc(NCCCCC)n1.
What is the InChIKey of 2-N,6-N-dipentylpyridine-2,6-diamine?
The InChIKey is FICPLVZERIFUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-5-7-12-16-14-10-9-11-15(18-14)17-13-8-6-4-2/h9-11H,3-8,12-13H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N,6-N-dipentylpyridine-2,6-diamine?
2-N,6-N-dipentylpyridine-2,6-diamine has a molecular weight of 249.40 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dipentylpyridine-2,6-diamine is sourced from PubChem (CID 66709787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).