4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide

C17H24N2O — CID 68506015

IUPAC4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C17H24N2O/c1-17(2)9-7-12(8-10-17)14-11-13(5-6-15(14)18)16(20)19(3)4/h5-7,11H,8-10,18H2,1-4H3
InChIKeyOMOXHUBCMOVOHF-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds2

About 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide

4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide (PubChem CID 68506015) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide
PubChem CID68506015
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C17H24N2O/c1-17(2)9-7-12(8-10-17)14-11-13(5-6-15(14)18)16(20)19(3)4/h5-7,11H,8-10,18H2,1-4H3
InChIKeyOMOXHUBCMOVOHF-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-3-(4,4-dimethylcyclohexen-1-yl)phenyl]propanamide
CID 58994512
1-[4-[4-amino-3-(4,4-dimethylcyclohexen-1-yl)phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2,2,2-trifluoroacetic acid
CID 68537514
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine
CID 177354348
N,N-dimethyl-2-benzothiophene-5-carboxamide
CID 174850919
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-[3-(4,4-dimethylcyclohexen-1-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]-N,N-dimethylbenzamide
CID 144600481
4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
CID 63360505
4-amino-3-(cyclohexen-1-yl)benzamide
CID 58754805
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide (CID 68506015) is 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(C2=CCC(C)(C)CC2)c1.
What is the InChIKey of 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide?
The InChIKey is OMOXHUBCMOVOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)9-7-12(8-10-17)14-11-13(5-6-15(14)18)16(20)19(3)4/h5-7,11H,8-10,18H2,1-4H3.
What are the key properties of 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide?
4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide has a molecular weight of 272.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 68506015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).