3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine

C16H27Cl2N3 — CID 102759054

IUPAC3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
SMILESCCCCCCCCCCNc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C16H27Cl2N3/c1-3-4-5-6-7-8-9-10-11-20-16-14(18)12-13(17)15(19-2)21-16/h12H,3-11H2,1-2H3,(H2,19,20,21)
InChIKeyICDYJXHRKQVNCH-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.98
Rot. Bonds11

About 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine (PubChem CID 102759054) has the molecular formula C16H27Cl2N3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
PubChem CID102759054
Molecular FormulaC16H27Cl2N3
Molecular Weight332.32 g/mol
Exact Mass331.16
IUPAC Name3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
SMILESCCCCCCCCCCNc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C16H27Cl2N3/c1-3-4-5-6-7-8-9-10-11-20-16-14(18)12-13(17)15(19-2)21-16/h12H,3-11H2,1-2H3,(H2,19,20,21)
InChIKeyICDYJXHRKQVNCH-UHFFFAOYSA-N
XLogP5.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.98
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

3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
CID 102757677
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
CID 102759914
3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
CID 114188400
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine (CID 102759054) is 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine is CCCCCCCCCCNc1nc(NC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine?
The InChIKey is ICDYJXHRKQVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Cl2N3/c1-3-4-5-6-7-8-9-10-11-20-16-14(18)12-13(17)15(19-2)21-16/h12H,3-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine has a molecular weight of 332.32 g/mol, XLogP of 5.98, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102759054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).