N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide

C9H14N2O — CID 123450050

IUPACN,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide
SMILESCNC(=O)C1=CCCC(C)N=C1
InChIInChI=1S/C9H14N2O/c1-7-4-3-5-8(6-11-7)9(12)10-2/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyGTGXAVAAGJFYOC-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.91
Rot. Bonds1

About N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide

N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide (PubChem CID 123450050) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide
PubChem CID123450050
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide
SMILESCNC(=O)C1=CCCC(C)N=C1
InChIInChI=1S/C9H14N2O/c1-7-4-3-5-8(6-11-7)9(12)10-2/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyGTGXAVAAGJFYOC-UHFFFAOYSA-N
XLogP0.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2,3-dihydropyridine-5-carboxamide
CID 53843387
N-methyl-3H-pyridin-1-ium-4-carboxamide
CID 57064204
N,3-dimethyl-2,3-dihydropyridine-5-carboxamide
CID 123307049
N-methyl-2-oxo-3H-pyridine-5-carboxamide
CID 129636188
(2E,4Z)-N,4-dimethyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 132076820
(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide
CID 143846738
(E)-2-methanimidoyl-N-propan-2-yloct-2-enamide
CID 169582326
2-Ethyl-2,3-dihydropyridine-5-carboxamide
CID 170057475
5-[(Z)-but-1-enyl]-N,4-dimethyl-2H-azepine-6-carboxamide
CID 170237531
(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide
CID 143931882

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide?
The IUPAC name of N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide (CID 123450050) is N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide is CNC(=O)C1=CCCC(C)N=C1.
What is the InChIKey of N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide?
The InChIKey is GTGXAVAAGJFYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-4-3-5-8(6-11-7)9(12)10-2/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide?
N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide is sourced from PubChem (CID 123450050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).