N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide

C14H18N2O — CID 6910562

IUPACN-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCc1cc(C)c(/C=N/NC(=O)C2CC2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-6-10(2)13(11(3)7-9)8-15-16-14(17)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H,16,17)/b15-8+
InChIKeyFWKZNHDQJAGVBL-OVCLIPMQSA-N
MW230.31 g/mol
LogP2.47
Rot. Bonds3

About N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 6910562) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID6910562
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCc1cc(C)c(/C=N/NC(=O)C2CC2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-6-10(2)13(11(3)7-9)8-15-16-14(17)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H,16,17)/b15-8+
InChIKeyFWKZNHDQJAGVBL-OVCLIPMQSA-N
XLogP2.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 121263581
N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 2832984
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420026
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 8867086
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2350489
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide (CID 6910562) is N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide is Cc1cc(C)c(/C=N/NC(=O)C2CC2)c(C)c1.
What is the InChIKey of N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is FWKZNHDQJAGVBL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-6-10(2)13(11(3)7-9)8-15-16-14(17)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6910562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).