2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine

C13H20N2O2 — CID 106871796

IUPAC2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
SMILESCOc1ncccc1NC1CCCC(OC)C1
InChIInChI=1S/C13H20N2O2/c1-16-11-6-3-5-10(9-11)15-12-7-4-8-14-13(12)17-2/h4,7-8,10-11,15H,3,5-6,9H2,1-2H3
InChIKeyYWBJIKCHDVIQSF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds4

About 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine

2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine (PubChem CID 106871796) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
PubChem CID106871796
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
SMILESCOc1ncccc1NC1CCCC(OC)C1
InChIInChI=1S/C13H20N2O2/c1-16-11-6-3-5-10(9-11)15-12-7-4-8-14-13(12)17-2/h4,7-8,10-11,15H,3,5-6,9H2,1-2H3
InChIKeyYWBJIKCHDVIQSF-UHFFFAOYSA-N
XLogP2.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine?
The IUPAC name of 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine (CID 106871796) is 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine is COc1ncccc1NC1CCCC(OC)C1.
What is the InChIKey of 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine?
The InChIKey is YWBJIKCHDVIQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-11-6-3-5-10(9-11)15-12-7-4-8-14-13(12)17-2/h4,7-8,10-11,15H,3,5-6,9H2,1-2H3.
What are the key properties of 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine?
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine has a molecular weight of 236.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine is sourced from PubChem (CID 106871796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).