N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide

C16H18N2O — CID 177056431

IUPACN-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide
SMILESCCN(C)/C(C)=N/c1cc2ccccc2cc1C=O
InChIInChI=1S/C16H18N2O/c1-4-18(3)12(2)17-16-10-14-8-6-5-7-13(14)9-15(16)11-19/h5-11H,4H2,1-3H3/b17-12+
InChIKeyLAEZMACDABLHDF-SFQUDFHCSA-N
MW254.33 g/mol
LogP3.65
Rot. Bonds3

About N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide

N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide (PubChem CID 177056431) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide
PubChem CID177056431
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide
SMILESCCN(C)/C(C)=N/c1cc2ccccc2cc1C=O
InChIInChI=1S/C16H18N2O/c1-4-18(3)12(2)17-16-10-14-8-6-5-7-13(14)9-15(16)11-19/h5-11H,4H2,1-3H3/b17-12+
InChIKeyLAEZMACDABLHDF-SFQUDFHCSA-N
XLogP3.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide?
The IUPAC name of N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide (CID 177056431) is N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide.
What is the SMILES notation for N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide?
The canonical SMILES for N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide is CCN(C)/C(C)=N/c1cc2ccccc2cc1C=O.
What is the InChIKey of N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide?
The InChIKey is LAEZMACDABLHDF-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-18(3)12(2)17-16-10-14-8-6-5-7-13(14)9-15(16)11-19/h5-11H,4H2,1-3H3/b17-12+.
What are the key properties of N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide?
N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide has a molecular weight of 254.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide is sourced from PubChem (CID 177056431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).