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

C16H25Cl2N3 — CID 102759062

IUPAC3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
SMILESCNc1nc(N(CCC(C)C)C2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N3/c1-11(2)8-9-21(12-6-4-5-7-12)16-14(18)10-13(17)15(19-3)20-16/h10-12H,4-9H2,1-3H3,(H,19,20)
InChIKeyUWVMLKWPHOZTGO-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.23
Rot. Bonds6

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

3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine (PubChem CID 102759062) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
PubChem CID102759062
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
SMILESCNc1nc(N(CCC(C)C)C2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N3/c1-11(2)8-9-21(12-6-4-5-7-12)16-14(18)10-13(17)15(19-3)20-16/h10-12H,4-9H2,1-3H3,(H,19,20)
InChIKeyUWVMLKWPHOZTGO-UHFFFAOYSA-N
XLogP5.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine
CID 107871755
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864
5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535326
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765930
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine (CID 102759062) is 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine is CNc1nc(N(CCC(C)C)C2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine?
The InChIKey is UWVMLKWPHOZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3/c1-11(2)8-9-21(12-6-4-5-7-12)16-14(18)10-13(17)15(19-3)20-16/h10-12H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine has a molecular weight of 330.30 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine is sourced from PubChem (CID 102759062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).