2-(3,5-diaminocyclohexyl)benzamide

C13H19N3O — CID 68506787

IUPAC2-(3,5-diaminocyclohexyl)benzamide
SMILESNC(=O)c1ccccc1C1CC(N)CC(N)C1
InChIInChI=1S/C13H19N3O/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-4,8-10H,5-7,14-15H2,(H2,16,17)
InChIKeyGZFOOWZWOHWDEM-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.71
Rot. Bonds2

About 2-(3,5-diaminocyclohexyl)benzamide

2-(3,5-diaminocyclohexyl)benzamide (PubChem CID 68506787) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3,5-diaminocyclohexyl)benzamide.

Molecular Properties

Compound Name2-(3,5-diaminocyclohexyl)benzamide
PubChem CID68506787
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(3,5-diaminocyclohexyl)benzamide
SMILESNC(=O)c1ccccc1C1CC(N)CC(N)C1
InChIInChI=1S/C13H19N3O/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-4,8-10H,5-7,14-15H2,(H2,16,17)
InChIKeyGZFOOWZWOHWDEM-UHFFFAOYSA-N
XLogP0.71
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diaminocyclohexyl)benzamide?
The IUPAC name of 2-(3,5-diaminocyclohexyl)benzamide (CID 68506787) is 2-(3,5-diaminocyclohexyl)benzamide.
What is the SMILES notation for 2-(3,5-diaminocyclohexyl)benzamide?
The canonical SMILES for 2-(3,5-diaminocyclohexyl)benzamide is NC(=O)c1ccccc1C1CC(N)CC(N)C1.
What is the InChIKey of 2-(3,5-diaminocyclohexyl)benzamide?
The InChIKey is GZFOOWZWOHWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-4,8-10H,5-7,14-15H2,(H2,16,17).
What are the key properties of 2-(3,5-diaminocyclohexyl)benzamide?
2-(3,5-diaminocyclohexyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diaminocyclohexyl)benzamide is sourced from PubChem (CID 68506787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).