N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide

C18H28N2O2 — CID 70602916

IUPACN-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide
SMILESCCc1cccc(CC)c1N(C)C=NC1OCC(C)(C)CO1
InChIInChI=1S/C18H28N2O2/c1-6-14-9-8-10-15(7-2)16(14)20(5)13-19-17-21-11-18(3,4)12-22-17/h8-10,13,17H,6-7,11-12H2,1-5H3
InChIKeyYZFKFTLJKDXPQR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.63
Rot. Bonds5

About N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide

N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide (PubChem CID 70602916) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide
PubChem CID70602916
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide
SMILESCCc1cccc(CC)c1N(C)C=NC1OCC(C)(C)CO1
InChIInChI=1S/C18H28N2O2/c1-6-14-9-8-10-15(7-2)16(14)20(5)13-19-17-21-11-18(3,4)12-22-17/h8-10,13,17H,6-7,11-12H2,1-5H3
InChIKeyYZFKFTLJKDXPQR-UHFFFAOYSA-N
XLogP3.63
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide?
The IUPAC name of N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide (CID 70602916) is N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide is CCc1cccc(CC)c1N(C)C=NC1OCC(C)(C)CO1.
What is the InChIKey of N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide?
The InChIKey is YZFKFTLJKDXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-14-9-8-10-15(7-2)16(14)20(5)13-19-17-21-11-18(3,4)12-22-17/h8-10,13,17H,6-7,11-12H2,1-5H3.
What are the key properties of N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide?
N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide has a molecular weight of 304.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N'-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methylmethanimidamide is sourced from PubChem (CID 70602916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).