2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine

C13H19Cl2N3 — CID 86724469

IUPAC2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine
SMILESCC1CCC(CNc2c(N)cc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-8-2-4-9(5-3-8)7-17-12-10(16)6-11(14)18-13(12)15/h6,8-9,17H,2-5,7H2,1H3,(H2,16,18)
InChIKeyDNFPIDCRQXAIOY-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.21
Rot. Bonds3

About 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine

2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine (PubChem CID 86724469) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine
PubChem CID86724469
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine
SMILESCC1CCC(CNc2c(N)cc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-8-2-4-9(5-3-8)7-17-12-10(16)6-11(14)18-13(12)15/h6,8-9,17H,2-5,7H2,1H3,(H2,16,18)
InChIKeyDNFPIDCRQXAIOY-UHFFFAOYSA-N
XLogP4.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine?
The IUPAC name of 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine (CID 86724469) is 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine is CC1CCC(CNc2c(N)cc(Cl)nc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine?
The InChIKey is DNFPIDCRQXAIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-8-2-4-9(5-3-8)7-17-12-10(16)6-11(14)18-13(12)15/h6,8-9,17H,2-5,7H2,1H3,(H2,16,18).
What are the key properties of 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine?
2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine has a molecular weight of 288.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-N-[(4-methylcyclohexyl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 86724469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).