2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine

C16H26N4O2 — CID 139910526

IUPAC2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine
SMILESCOc1nccc(/C=N/C2CCC(OCCN(C)C)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-20(2)10-11-22-15-6-4-13(5-7-15)18-12-14-8-9-17-16(19-14)21-3/h8-9,12-13,15H,4-7,10-11H2,1-3H3/b18-12+
InChIKeyRVAZCHSFRSJSIF-LDADJPATSA-N
MW306.41 g/mol
LogP1.79
Rot. Bonds7

About 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine

2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine (PubChem CID 139910526) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine
PubChem CID139910526
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine
SMILESCOc1nccc(/C=N/C2CCC(OCCN(C)C)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-20(2)10-11-22-15-6-4-13(5-7-15)18-12-14-8-9-17-16(19-14)21-3/h8-9,12-13,15H,4-7,10-11H2,1-3H3/b18-12+
InChIKeyRVAZCHSFRSJSIF-LDADJPATSA-N
XLogP1.79
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine (CID 139910526) is 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine is COc1nccc(/C=N/C2CCC(OCCN(C)C)CC2)n1.
What is the InChIKey of 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine?
The InChIKey is RVAZCHSFRSJSIF-LDADJPATSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-20(2)10-11-22-15-6-4-13(5-7-15)18-12-14-8-9-17-16(19-14)21-3/h8-9,12-13,15H,4-7,10-11H2,1-3H3/b18-12+.
What are the key properties of 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine?
2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine has a molecular weight of 306.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 139910526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).