3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine

C18H29N3O3 — CID 19032535

IUPAC3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine
SMILESCOCc1nccc(NC2CCC(=NOC(C)(C)C)CC2)c1OC
InChIInChI=1S/C18H29N3O3/c1-18(2,3)24-21-14-8-6-13(7-9-14)20-15-10-11-19-16(12-22-4)17(15)23-5/h10-11,13H,6-9,12H2,1-5H3,(H,19,20)/b21-14-
InChIKeyHCSLUMCGRDDFPX-STZFKDTASA-N
MW335.45 g/mol
LogP3.76
Rot. Bonds6

About 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine

3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine (PubChem CID 19032535) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine
PubChem CID19032535
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine
SMILESCOCc1nccc(NC2CCC(=NOC(C)(C)C)CC2)c1OC
InChIInChI=1S/C18H29N3O3/c1-18(2,3)24-21-14-8-6-13(7-9-14)20-15-10-11-19-16(12-22-4)17(15)23-5/h10-11,13H,6-9,12H2,1-5H3,(H,19,20)/b21-14-
InChIKeyHCSLUMCGRDDFPX-STZFKDTASA-N
XLogP3.76
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine?
The IUPAC name of 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine (CID 19032535) is 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine is COCc1nccc(NC2CCC(=NOC(C)(C)C)CC2)c1OC.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine?
The InChIKey is HCSLUMCGRDDFPX-STZFKDTASA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)24-21-14-8-6-13(7-9-14)20-15-10-11-19-16(12-22-4)17(15)23-5/h10-11,13H,6-9,12H2,1-5H3,(H,19,20)/b21-14-.
What are the key properties of 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine?
3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine has a molecular weight of 335.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine is sourced from PubChem (CID 19032535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).