(2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium

C10H16N+ — CID 142868000

IUPAC(2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium
SMILESC=CC1=C([N+](=C)C)CCCC1
InChIInChI=1S/C10H16N/c1-4-9-7-5-6-8-10(9)11(2)3/h4H,1-2,5-8H2,3H3/q+1
InChIKeyQEGJRTTXGAERLD-UHFFFAOYSA-N
MW150.24 g/mol
LogP2.34
Rot. Bonds2

About (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium

(2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium (PubChem CID 142868000) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium
PubChem CID142868000
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Name(2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium
SMILESC=CC1=C([N+](=C)C)CCCC1
InChIInChI=1S/C10H16N/c1-4-9-7-5-6-8-10(9)11(2)3/h4H,1-2,5-8H2,3H3/q+1
InChIKeyQEGJRTTXGAERLD-UHFFFAOYSA-N
XLogP2.34
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium?
The IUPAC name of (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium (CID 142868000) is (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium.
What is the SMILES notation for (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium?
The canonical SMILES for (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium is C=CC1=C([N+](=C)C)CCCC1.
What is the InChIKey of (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium?
The InChIKey is QEGJRTTXGAERLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-4-9-7-5-6-8-10(9)11(2)3/h4H,1-2,5-8H2,3H3/q+1.
What are the key properties of (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium?
(2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium has a molecular weight of 150.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylcyclohexen-1-yl)-methyl-methylideneazanium is sourced from PubChem (CID 142868000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).