4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione

C14H24N4O2 — CID 102409774

IUPAC4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione
SMILESC/C1=N/CCCNC(=O)C/C(C)=N/CCCNC(=O)C1
InChIInChI=1S/C14H24N4O2/c1-11-9-13(19)17-8-4-6-16-12(2)10-14(20)18-7-3-5-15-11/h3-10H2,1-2H3,(H,17,19)(H,18,20)/b15-11-,16-12+
InChIKeyPBBRMPAYYPJCCL-UKVBVZPVSA-N
MW280.37 g/mol
LogP0.71
Rot. Bonds

About 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione

4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione (PubChem CID 102409774) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione.

Molecular Properties

Compound Name4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione
PubChem CID102409774
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione
SMILESC/C1=N/CCCNC(=O)C/C(C)=N/CCCNC(=O)C1
InChIInChI=1S/C14H24N4O2/c1-11-9-13(19)17-8-4-6-16-12(2)10-14(20)18-7-3-5-15-11/h3-10H2,1-2H3,(H,17,19)(H,18,20)/b15-11-,16-12+
InChIKeyPBBRMPAYYPJCCL-UKVBVZPVSA-N
XLogP0.71
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
CID 11304215
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,14-tetraene
CID 15304008
ethane;pyrrolidin-2-one
CID 54451151
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 137209925
1,4,5,6-tetrahydropyrimidin-2-amine
CID 3287412
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
azepan-2-one;ethane
CID 91592472
astatane;pyrrolidin-2-one
CID 174831438
arsane;pyrrolidin-2-one
CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
1,4,5,6-tetrahydropyrimidine-2-sulfonic acid
CID 86163319
3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid;hydrochloride
CID 70356616

Frequently Asked Questions

What is the IUPAC name of 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione?
The IUPAC name of 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione (CID 102409774) is 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione.
What is the SMILES notation for 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione?
The canonical SMILES for 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione is C/C1=N/CCCNC(=O)C/C(C)=N/CCCNC(=O)C1.
What is the InChIKey of 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione?
The InChIKey is PBBRMPAYYPJCCL-UKVBVZPVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-9-13(19)17-8-4-6-16-12(2)10-14(20)18-7-3-5-15-11/h3-10H2,1-2H3,(H,17,19)(H,18,20)/b15-11-,16-12+.
What are the key properties of 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione?
4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione has a molecular weight of 280.37 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione is sourced from PubChem (CID 102409774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).