3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide

C17H25N3O — CID 107846340

IUPAC3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCCC2=CCCCC2)c(N)c1
InChIInChI=1S/C17H25N3O/c1-20(2)17(21)14-8-9-16(15(18)12-14)19-11-10-13-6-4-3-5-7-13/h6,8-9,12,19H,3-5,7,10-11,18H2,1-2H3
InChIKeyGLYBPJQZWUFKGT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.27
Rot. Bonds5

About 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide

3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide (PubChem CID 107846340) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
PubChem CID107846340
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCCC2=CCCCC2)c(N)c1
InChIInChI=1S/C17H25N3O/c1-20(2)17(21)14-8-9-16(15(18)12-14)19-11-10-13-6-4-3-5-7-13/h6,8-9,12,19H,3-5,7,10-11,18H2,1-2H3
InChIKeyGLYBPJQZWUFKGT-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]benzoate
CID 100620771
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
CID 71973858
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31671944
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
CID 114152757
6-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103844277
3-bromo-4-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 114009477
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide
CID 82993398
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide (CID 107846340) is 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCCC2=CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is GLYBPJQZWUFKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20(2)17(21)14-8-9-16(15(18)12-14)19-11-10-13-6-4-3-5-7-13/h6,8-9,12,19H,3-5,7,10-11,18H2,1-2H3.
What are the key properties of 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide?
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 287.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 107846340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).