2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine

C14H20Cl2N2 — CID 114051292

IUPAC2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1NCC1CCCC(C)C1
InChIInChI=1S/C14H20Cl2N2/c1-9-4-3-5-11(6-9)8-17-13-10(2)7-12(15)18-14(13)16/h7,9,11,17H,3-6,8H2,1-2H3
InChIKeyZNNRZMZDCQZRRS-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.94
Rot. Bonds3

About 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine

2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine (PubChem CID 114051292) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine
PubChem CID114051292
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1NCC1CCCC(C)C1
InChIInChI=1S/C14H20Cl2N2/c1-9-4-3-5-11(6-9)8-17-13-10(2)7-12(15)18-14(13)16/h7,9,11,17H,3-6,8H2,1-2H3
InChIKeyZNNRZMZDCQZRRS-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine?
The IUPAC name of 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine (CID 114051292) is 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine?
The canonical SMILES for 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine is Cc1cc(Cl)nc(Cl)c1NCC1CCCC(C)C1.
What is the InChIKey of 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine?
The InChIKey is ZNNRZMZDCQZRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-9-4-3-5-11(6-9)8-17-13-10(2)7-12(15)18-14(13)16/h7,9,11,17H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine?
2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine has a molecular weight of 287.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine is sourced from PubChem (CID 114051292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).