1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione

C14H28N4O2 — CID 12710130

IUPAC1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione
SMILESCN1CCCN(C)CCNC(=O)C(C)(C)C(=O)NCC1
InChIInChI=1S/C14H28N4O2/c1-14(2)12(19)15-6-10-17(3)8-5-9-18(4)11-7-16-13(14)20/h5-11H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyVDRATCWIIFDZFU-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.49
Rot. Bonds

About 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione

1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione (PubChem CID 12710130) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione.

Molecular Properties

Compound Name1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione
PubChem CID12710130
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione
SMILESCN1CCCN(C)CCNC(=O)C(C)(C)C(=O)NCC1
InChIInChI=1S/C14H28N4O2/c1-14(2)12(19)15-6-10-17(3)8-5-9-18(4)11-7-16-13(14)20/h5-11H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyVDRATCWIIFDZFU-UHFFFAOYSA-N
XLogP-0.49
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione?
The IUPAC name of 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione (CID 12710130) is 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione.
What is the SMILES notation for 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione?
The canonical SMILES for 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione is CN1CCCN(C)CCNC(=O)C(C)(C)C(=O)NCC1.
What is the InChIKey of 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione?
The InChIKey is VDRATCWIIFDZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(2)12(19)15-6-10-17(3)8-5-9-18(4)11-7-16-13(14)20/h5-11H2,1-4H3,(H,15,19)(H,16,20).
What are the key properties of 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione?
1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione has a molecular weight of 284.40 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione is sourced from PubChem (CID 12710130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).