3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide

C15H23N3O — CID 79855552

IUPAC3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCCC1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H23N3O/c1-15(2)6-4-3-5-13(15)18-14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,3-6,16-17H2,1-2H3,(H,18,19)
InChIKeyXOYBRQIXQAFXHE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds2

About 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide

3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide (PubChem CID 79855552) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
PubChem CID79855552
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCCC1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H23N3O/c1-15(2)6-4-3-5-13(15)18-14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,3-6,16-17H2,1-2H3,(H,18,19)
InChIKeyXOYBRQIXQAFXHE-UHFFFAOYSA-N
XLogP2.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide (CID 79855552) is 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide is CC1(C)CCCCC1NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide?
The InChIKey is XOYBRQIXQAFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)6-4-3-5-13(15)18-14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,3-6,16-17H2,1-2H3,(H,18,19).
What are the key properties of 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide?
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 79855552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).