cyclopentane;hexanediamide

C11H22N2O2 — CID 19029840

IUPACcyclopentane;hexanediamide
SMILESC1CCCC1.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C5H10/c7-5(9)3-1-2-4-6(8)10;1-2-4-5-3-1/h1-4H2,(H2,7,9)(H2,8,10);1-5H2
InChIKeyJMPMREGLTXQGJS-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.47
Rot. Bonds5

About cyclopentane;hexanediamide

cyclopentane;hexanediamide (PubChem CID 19029840) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is cyclopentane;hexanediamide.

Molecular Properties

Compound Namecyclopentane;hexanediamide
PubChem CID19029840
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namecyclopentane;hexanediamide
SMILESC1CCCC1.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C5H10/c7-5(9)3-1-2-4-6(8)10;1-2-4-5-3-1/h1-4H2,(H2,7,9)(H2,8,10);1-5H2
InChIKeyJMPMREGLTXQGJS-UHFFFAOYSA-N
XLogP1.47
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;hexanediamide?
The IUPAC name of cyclopentane;hexanediamide (CID 19029840) is cyclopentane;hexanediamide.
What is the SMILES notation for cyclopentane;hexanediamide?
The canonical SMILES for cyclopentane;hexanediamide is C1CCCC1.NC(=O)CCCCC(N)=O.
What is the InChIKey of cyclopentane;hexanediamide?
The InChIKey is JMPMREGLTXQGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C5H10/c7-5(9)3-1-2-4-6(8)10;1-2-4-5-3-1/h1-4H2,(H2,7,9)(H2,8,10);1-5H2.
What are the key properties of cyclopentane;hexanediamide?
cyclopentane;hexanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;hexanediamide is sourced from PubChem (CID 19029840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).