3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine

C15H23Cl2N3 — CID 102759264

IUPAC3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NC2CCCC(C)(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3/c1-4-18-13-11(16)8-12(17)14(20-13)19-10-6-5-7-15(2,3)9-10/h8,10H,4-7,9H2,1-3H3,(H2,18,19,20)
InChIKeyJTXDYVVYRUCUSP-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.20
Rot. Bonds4

About 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine

3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 102759264) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID102759264
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NC2CCCC(C)(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3/c1-4-18-13-11(16)8-12(17)14(20-13)19-10-6-5-7-15(2,3)9-10/h8,10H,4-7,9H2,1-3H3,(H2,18,19,20)
InChIKeyJTXDYVVYRUCUSP-UHFFFAOYSA-N
XLogP5.20
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.28
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine (CID 102759264) is 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine is CCNc1nc(NC2CCCC(C)(C)C2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is JTXDYVVYRUCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-4-18-13-11(16)8-12(17)14(20-13)19-10-6-5-7-15(2,3)9-10/h8,10H,4-7,9H2,1-3H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine?
3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 316.28 g/mol, XLogP of 5.20, 4 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-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102759264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).