1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide

C13H24N2O2 — CID 158969228

IUPAC1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
SMILESCC1CC(C(=O)N(C)C)CC(C(=O)N(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9-6-10(12(16)14(2)3)8-11(7-9)13(17)15(4)5/h9-11H,6-8H2,1-5H3
InChIKeyKLSBAGVPHOUWLO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.22
Rot. Bonds2

About 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide

1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide (PubChem CID 158969228) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
PubChem CID158969228
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
SMILESCC1CC(C(=O)N(C)C)CC(C(=O)N(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9-6-10(12(16)14(2)3)8-11(7-9)13(17)15(4)5/h9-11H,6-8H2,1-5H3
InChIKeyKLSBAGVPHOUWLO-UHFFFAOYSA-N
XLogP1.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide (CID 158969228) is 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide is CC1CC(C(=O)N(C)C)CC(C(=O)N(C)C)C1.
What is the InChIKey of 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide?
The InChIKey is KLSBAGVPHOUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-6-10(12(16)14(2)3)8-11(7-9)13(17)15(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide?
1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 158969228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).