3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione

C16H22N2O2 — CID 102482455

IUPAC3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione
SMILESCC1(C)CC#CCNC(=O)C(C)(C)CC#CCNC1=O
InChIInChI=1S/C16H22N2O2/c1-15(2)9-5-7-12-18-14(20)16(3,4)10-6-8-11-17-13(15)19/h9-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWNZWSGAPXMDWLA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.07
Rot. Bonds

About 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione

3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione (PubChem CID 102482455) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione.

Molecular Properties

Compound Name3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione
PubChem CID102482455
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione
SMILESCC1(C)CC#CCNC(=O)C(C)(C)CC#CCNC1=O
InChIInChI=1S/C16H22N2O2/c1-15(2)9-5-7-12-18-14(20)16(3,4)10-6-8-11-17-13(15)19/h9-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWNZWSGAPXMDWLA-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione with MolForge

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Related Compounds

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CID 56765708
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CID 4070775
N-ethyl-3,3-dimethylbutanamide
CID 222587
N-butyl-3,3-dimethylbutanamide
CID 3523337
N-butyl-2,2-dimethylbutanamide
CID 3523338
3,3-dimethyl-N-propylbutanamide
CID 4474209
2,2-dimethyl-N-propylbutanamide
CID 4474210
N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide
CID 20759347
N-(3-aminopropyl)-2,2-dimethylbutanamide
CID 22974841
N-(3-aminopropyl)-3,3-dimethylbutanamide
CID 24703747
3,3-dimethyl-N-[3-(methylamino)propyl]butanamide
CID 43600677

Frequently Asked Questions

What is the IUPAC name of 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione?
The IUPAC name of 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione (CID 102482455) is 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione.
What is the SMILES notation for 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione?
The canonical SMILES for 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione is CC1(C)CC#CCNC(=O)C(C)(C)CC#CCNC1=O.
What is the InChIKey of 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione?
The InChIKey is WNZWSGAPXMDWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2)9-5-7-12-18-14(20)16(3,4)10-6-8-11-17-13(15)19/h9-12H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione?
3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione has a molecular weight of 274.36 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10,10-tetramethyl-1,8-diazacyclotetradeca-5,12-diyne-2,9-dione is sourced from PubChem (CID 102482455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).