3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine

C16H27Cl2N3 — CID 107871755

IUPAC3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine
SMILESCNc1nc(N(CCC(C)C)CCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H27Cl2N3/c1-11(2)6-8-21(9-7-12(3)4)16-14(18)10-13(17)15(19-5)20-16/h10-12H,6-9H2,1-5H3,(H,19,20)
InChIKeyKIEAJPRCMUXVMV-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.33
Rot. Bonds8

About 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine (PubChem CID 107871755) has the molecular formula C16H27Cl2N3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine
PubChem CID107871755
Molecular FormulaC16H27Cl2N3
Molecular Weight332.32 g/mol
Exact Mass331.16
IUPAC Name3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine
SMILESCNc1nc(N(CCC(C)C)CCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H27Cl2N3/c1-11(2)6-8-21(9-7-12(3)4)16-14(18)10-13(17)15(19-5)20-16/h10-12H,6-9H2,1-5H3,(H,19,20)
InChIKeyKIEAJPRCMUXVMV-UHFFFAOYSA-N
XLogP5.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102757349
3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765930
3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102758070
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
CID 102761879
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-6-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 102761612
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
CID 102757677

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine (CID 107871755) is 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine is CNc1nc(N(CCC(C)C)CCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine?
The InChIKey is KIEAJPRCMUXVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Cl2N3/c1-11(2)6-8-21(9-7-12(3)4)16-14(18)10-13(17)15(19-5)20-16/h10-12H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine has a molecular weight of 332.32 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine is sourced from PubChem (CID 107871755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).