(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium

C11H18N+ — CID 163466342

IUPAC(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium
SMILESC=CC1CC(C)=C(C)CC1C=[NH2+]
InChIInChI=1S/C11H17N/c1-4-10-5-8(2)9(3)6-11(10)7-12/h4,7,10-12H,1,5-6H2,2-3H3/p+1
InChIKeyBSXQGKFBSRCDKB-UHFFFAOYSA-O
MW164.27 g/mol
LogP1.36
Rot. Bonds2

About (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium

(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium (PubChem CID 163466342) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium.

Molecular Properties

Compound Name(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium
PubChem CID163466342
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium
SMILESC=CC1CC(C)=C(C)CC1C=[NH2+]
InChIInChI=1S/C11H17N/c1-4-10-5-8(2)9(3)6-11(10)7-12/h4,7,10-12H,1,5-6H2,2-3H3/p+1
InChIKeyBSXQGKFBSRCDKB-UHFFFAOYSA-O
XLogP1.36
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium?
The IUPAC name of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium (CID 163466342) is (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium.
What is the SMILES notation for (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium?
The canonical SMILES for (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium is C=CC1CC(C)=C(C)CC1C=[NH2+].
What is the InChIKey of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium?
The InChIKey is BSXQGKFBSRCDKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N/c1-4-10-5-8(2)9(3)6-11(10)7-12/h4,7,10-12H,1,5-6H2,2-3H3/p+1.
What are the key properties of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium?
(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium has a molecular weight of 164.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methylideneazanium is sourced from PubChem (CID 163466342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).