2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine

C13H20N2O2 — CID 79259509

IUPAC2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine
SMILESCOC1CCCC(OCc2cc(N)ccn2)C1
InChIInChI=1S/C13H20N2O2/c1-16-12-3-2-4-13(8-12)17-9-11-7-10(14)5-6-15-11/h5-7,12-13H,2-4,8-9H2,1H3,(H2,14,15)
InChIKeyZDVQLSGLVAZIFW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.14
Rot. Bonds4

About 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine

2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine (PubChem CID 79259509) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine
PubChem CID79259509
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine
SMILESCOC1CCCC(OCc2cc(N)ccn2)C1
InChIInChI=1S/C13H20N2O2/c1-16-12-3-2-4-13(8-12)17-9-11-7-10(14)5-6-15-11/h5-7,12-13H,2-4,8-9H2,1H3,(H2,14,15)
InChIKeyZDVQLSGLVAZIFW-UHFFFAOYSA-N
XLogP2.14
TPSA57.37 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine?
The IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine (CID 79259509) is 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine.
What is the SMILES notation for 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine?
The canonical SMILES for 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine is COC1CCCC(OCc2cc(N)ccn2)C1.
What is the InChIKey of 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine?
The InChIKey is ZDVQLSGLVAZIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-12-3-2-4-13(8-12)17-9-11-7-10(14)5-6-15-11/h5-7,12-13H,2-4,8-9H2,1H3,(H2,14,15).
What are the key properties of 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine?
2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine has a molecular weight of 236.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine is sourced from PubChem (CID 79259509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).