4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

C17H27N3O — CID 79866956

IUPAC4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1NC1CCCCC1(C)C
InChIInChI=1S/C17H27N3O/c1-17(2)10-6-5-7-15(17)19-14-11-12(18)8-9-13(14)16(21)20(3)4/h8-9,11,15,19H,5-7,10,18H2,1-4H3
InChIKeyGAVNRXOACXFCSF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds3

About 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (PubChem CID 79866956) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
PubChem CID79866956
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1NC1CCCCC1(C)C
InChIInChI=1S/C17H27N3O/c1-17(2)10-6-5-7-15(17)19-14-11-12(18)8-9-13(14)16(21)20(3)4/h8-9,11,15,19H,5-7,10,18H2,1-4H3
InChIKeyGAVNRXOACXFCSF-UHFFFAOYSA-N
XLogP3.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 79860587
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
CID 65102756
3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
CID 79860799
3-amino-4-[(2,2-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 82990439
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994
2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
CID 79861490
ethyl 3-amino-4-[(2,2-dimethylcyclohexyl)amino]benzoate
CID 79870537
2-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 79861244

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (CID 79866956) is 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)cc1NC1CCCCC1(C)C.
What is the InChIKey of 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The InChIKey is GAVNRXOACXFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2)10-6-5-7-15(17)19-14-11-12(18)8-9-13(14)16(21)20(3)4/h8-9,11,15,19H,5-7,10,18H2,1-4H3.
What are the key properties of 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 79866956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).