N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine

C16H22N2 — CID 59114812

IUPACN-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine
SMILESC/N=C(\C)c1ccccc1N=C1CC(C)C(C)C1
InChIInChI=1S/C16H22N2/c1-11-9-14(10-12(11)2)18-16-8-6-5-7-15(16)13(3)17-4/h5-8,11-12H,9-10H2,1-4H3/b17-13+,18-14?
InChIKeyHPIQIOIEDBLNAD-QOPSANPBSA-N
MW242.37 g/mol
LogP4.26
Rot. Bonds2

About N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine

N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine (PubChem CID 59114812) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine.

Molecular Properties

Compound NameN-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine
PubChem CID59114812
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine
SMILESC/N=C(\C)c1ccccc1N=C1CC(C)C(C)C1
InChIInChI=1S/C16H22N2/c1-11-9-14(10-12(11)2)18-16-8-6-5-7-15(16)13(3)17-4/h5-8,11-12H,9-10H2,1-4H3/b17-13+,18-14?
InChIKeyHPIQIOIEDBLNAD-QOPSANPBSA-N
XLogP4.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine?
The IUPAC name of N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine (CID 59114812) is N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine.
What is the SMILES notation for N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine?
The canonical SMILES for N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine is C/N=C(\C)c1ccccc1N=C1CC(C)C(C)C1.
What is the InChIKey of N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine?
The InChIKey is HPIQIOIEDBLNAD-QOPSANPBSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-9-14(10-12(11)2)18-16-8-6-5-7-15(16)13(3)17-4/h5-8,11-12H,9-10H2,1-4H3/b17-13+,18-14?.
What are the key properties of N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine?
N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine has a molecular weight of 242.37 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(C,N-dimethylcarbonimidoyl)phenyl]-3,4-dimethylcyclopentan-1-imine is sourced from PubChem (CID 59114812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).