(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene

C13H21N — CID 130255115

IUPAC(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
SMILESC=C1CC/C(C)=C\CCCC(C)/C=N\1
InChIInChI=1S/C13H21N/c1-11-6-4-5-7-12(2)10-14-13(3)9-8-11/h6,10,12H,3-5,7-9H2,1-2H3/b11-6-,14-10-
InChIKeyFNTJEQYGOZGDLB-PRUKLFJYSA-N
MW191.32 g/mol
LogP4.12
Rot. Bonds

About (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene

(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene (PubChem CID 130255115) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene.

Molecular Properties

Compound Name(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
PubChem CID130255115
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
SMILESC=C1CC/C(C)=C\CCCC(C)/C=N\1
InChIInChI=1S/C13H21N/c1-11-6-4-5-7-12(2)10-14-13(3)9-8-11/h6,10,12H,3-5,7-9H2,1-2H3/b11-6-,14-10-
InChIKeyFNTJEQYGOZGDLB-PRUKLFJYSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene?
The IUPAC name of (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene (CID 130255115) is (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene.
What is the SMILES notation for (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene?
The canonical SMILES for (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene is C=C1CC/C(C)=C\CCCC(C)/C=N\1.
What is the InChIKey of (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene?
The InChIKey is FNTJEQYGOZGDLB-PRUKLFJYSA-N. The full InChI is InChI=1S/C13H21N/c1-11-6-4-5-7-12(2)10-14-13(3)9-8-11/h6,10,12H,3-5,7-9H2,1-2H3/b11-6-,14-10-.
What are the key properties of (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene?
(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene has a molecular weight of 191.32 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene is sourced from PubChem (CID 130255115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).