3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine

C15H23Cl2N3 — CID 102758631

IUPAC3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
SMILESCCNc1nc(NC2CCCC(CC)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3/c1-3-10-6-5-7-11(8-10)19-15-13(17)9-12(16)14(20-15)18-4-2/h9-11H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyHZZHFULIUBAZON-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.20
Rot. Bonds5

About 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine (PubChem CID 102758631) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
PubChem CID102758631
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
SMILESCCNc1nc(NC2CCCC(CC)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3/c1-3-10-6-5-7-11(8-10)19-15-13(17)9-12(16)14(20-15)18-4-2/h9-11H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyHZZHFULIUBAZON-UHFFFAOYSA-N
XLogP5.20
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
CID 102759264
3,5-dichloro-6-N-(1,1-dioxothian-3-yl)-2-N-ethylpyridine-2,6-diamine
CID 102758408
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
CID 107855385
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
CID 102750636
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174
6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
CID 102759994

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine (CID 102758631) is 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine is CCNc1nc(NC2CCCC(CC)C2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine?
The InChIKey is HZZHFULIUBAZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-3-10-6-5-7-11(8-10)19-15-13(17)9-12(16)14(20-15)18-4-2/h9-11H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine has a molecular weight of 316.28 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine is sourced from PubChem (CID 102758631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).