3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine

C12H18Cl2N2 — CID 63925501

IUPAC3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
SMILESCC(C)CCC(C)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-8(2)4-5-9(3)16-12-11(14)6-10(13)7-15-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyMDDMXBLEQXEPTG-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.62
Rot. Bonds5

About 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine

3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine (PubChem CID 63925501) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
PubChem CID63925501
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
SMILESCC(C)CCC(C)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-8(2)4-5-9(3)16-12-11(14)6-10(13)7-15-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyMDDMXBLEQXEPTG-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine (CID 63925501) is 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine is CC(C)CCC(C)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
The InChIKey is MDDMXBLEQXEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-8(2)4-5-9(3)16-12-11(14)6-10(13)7-15-12/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine has a molecular weight of 261.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine is sourced from PubChem (CID 63925501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).