5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane

C14H27N3 — CID 5242850

IUPAC5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane
SMILESC=C1CN2CCCN(C)CCCN(CCC2)C1
InChIInChI=1S/C14H27N3/c1-14-12-16-8-3-6-15(2)7-4-9-17(13-14)11-5-10-16/h1,3-13H2,2H3
InChIKeyUTUDKCGAGNJJOL-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.28
Rot. Bonds

About 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane

5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane (PubChem CID 5242850) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane.

Molecular Properties

Compound Name5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane
PubChem CID5242850
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane
SMILESC=C1CN2CCCN(C)CCCN(CCC2)C1
InChIInChI=1S/C14H27N3/c1-14-12-16-8-3-6-15(2)7-4-9-17(13-14)11-5-10-16/h1,3-13H2,2H3
InChIKeyUTUDKCGAGNJJOL-UHFFFAOYSA-N
XLogP1.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile
CID 3848599
N,N,N',N'-tetramethyl-2-methylidenepropane-1,3-diamine
CID 23422704
1,9-Dimethyl-3-methylidene-1,9-diaza-5-azanidacyclododecane;yttrium
CID 57579951
2-Methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 130669692
5-Ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 131065310
5-Methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane
CID 5242849
N,N,N',N'-tetraethyl-2-methylidenepropane-1,3-diamine
CID 23422705
2-Ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 130612740
2-Methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 130614568
2,5-Diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 131154014
1,5,9-Trimethyl-3-methylidene-1,5,9-triazacyclododecane
CID 142177895

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane?
The IUPAC name of 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane (CID 5242850) is 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane.
What is the SMILES notation for 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane?
The canonical SMILES for 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane is C=C1CN2CCCN(C)CCCN(CCC2)C1.
What is the InChIKey of 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane?
The InChIKey is UTUDKCGAGNJJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14-12-16-8-3-6-15(2)7-4-9-17(13-14)11-5-10-16/h1,3-13H2,2H3.
What are the key properties of 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane?
5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane has a molecular weight of 237.39 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane is sourced from PubChem (CID 5242850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).