4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

C17H27N3O — CID 64740893

IUPAC4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCC1CCC(Nc2cc(C(=O)N(C)C)ccc2N)CC1C
InChIInChI=1S/C17H27N3O/c1-11-5-7-14(9-12(11)2)19-16-10-13(6-8-15(16)18)17(21)20(3)4/h6,8,10-12,14,19H,5,7,9,18H2,1-4H3
InChIKeyCJGZJYWQXJJQCH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.21
Rot. Bonds3

About 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide

4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (PubChem CID 64740893) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
PubChem CID64740893
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCC1CCC(Nc2cc(C(=O)N(C)C)ccc2N)CC1C
InChIInChI=1S/C17H27N3O/c1-11-5-7-14(9-12(11)2)19-16-10-13(6-8-15(16)18)17(21)20(3)4/h6,8,10-12,14,19H,5,7,9,18H2,1-4H3
InChIKeyCJGZJYWQXJJQCH-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737
3-[(3,4-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64746815
4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 64740693
methyl 4-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 82785054
1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide (CID 64740893) is 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is CC1CCC(Nc2cc(C(=O)N(C)C)ccc2N)CC1C.
What is the InChIKey of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
The InChIKey is CJGZJYWQXJJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11-5-7-14(9-12(11)2)19-16-10-13(6-8-15(16)18)17(21)20(3)4/h6,8,10-12,14,19H,5,7,9,18H2,1-4H3.
What are the key properties of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide?
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 64740893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).