N-(cyclopentylideneamino)-3,4-dimethylbenzamide

C14H18N2O — CID 840656

IUPACN-(cyclopentylideneamino)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NN=C2CCCC2)cc1C
InChIInChI=1S/C14H18N2O/c1-10-7-8-12(9-11(10)2)14(17)16-15-13-5-3-4-6-13/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyJHLDSIQOYMVTMK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.96
Rot. Bonds2

About N-(cyclopentylideneamino)-3,4-dimethylbenzamide

N-(cyclopentylideneamino)-3,4-dimethylbenzamide (PubChem CID 840656) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-3,4-dimethylbenzamide
PubChem CID840656
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(cyclopentylideneamino)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NN=C2CCCC2)cc1C
InChIInChI=1S/C14H18N2O/c1-10-7-8-12(9-11(10)2)14(17)16-15-13-5-3-4-6-13/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyJHLDSIQOYMVTMK-UHFFFAOYSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-3,4-dimethylbenzamide?
The IUPAC name of N-(cyclopentylideneamino)-3,4-dimethylbenzamide (CID 840656) is N-(cyclopentylideneamino)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-3,4-dimethylbenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NN=C2CCCC2)cc1C.
What is the InChIKey of N-(cyclopentylideneamino)-3,4-dimethylbenzamide?
The InChIKey is JHLDSIQOYMVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-7-8-12(9-11(10)2)14(17)16-15-13-5-3-4-6-13/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-(cyclopentylideneamino)-3,4-dimethylbenzamide?
N-(cyclopentylideneamino)-3,4-dimethylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-3,4-dimethylbenzamide is sourced from PubChem (CID 840656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).