1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium

C10H16N+ — CID 123218456

IUPAC1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium
SMILESC#[N+]C(C)C1CCC(=C)CC1
InChIInChI=1S/C10H16N/c1-8-4-6-10(7-5-8)9(2)11-3/h3,9-10H,1,4-7H2,2H3/q+1
InChIKeyQLRBAKMYFXOBLV-UHFFFAOYSA-N
MW150.24 g/mol
LogP3.08
Rot. Bonds1

About 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium

1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium (PubChem CID 123218456) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium.

Molecular Properties

Compound Name1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium
PubChem CID123218456
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Name1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium
SMILESC#[N+]C(C)C1CCC(=C)CC1
InChIInChI=1S/C10H16N/c1-8-4-6-10(7-5-8)9(2)11-3/h3,9-10H,1,4-7H2,2H3/q+1
InChIKeyQLRBAKMYFXOBLV-UHFFFAOYSA-N
XLogP3.08
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 89009520
N,N-diethyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 89033951
4-but-1-en-2-yl-N,N-diethylcyclohexan-1-amine
CID 89519325
1-(Isocyanomethyl)-4-methylidenecyclohexane
CID 90804335
5-Isocyano-1,3-dimethyl-2-methylidenecyclohexane
CID 90907652
1-(Isocyanomethyl)-3-methylidenecyclohexane
CID 91204062
4-Isocyano-2-methyl-1-methylidenecyclohexane
CID 91354970
1-(4-Methylidenecyclohexyl)ethanamine
CID 91591307
3-Ethenylheptan-2-yl(methylidyne)azanium
CID 123726744
N,N-dimethyl-2-(4-methylidenecyclohexyl)ethanamine
CID 129102830
N-methyl-4-prop-1-en-2-yl-N-propylcyclohexan-1-amine
CID 132247444
N,N-dimethyl-4-(3-methyl-2-methylidenebut-3-enyl)cyclohexan-1-amine
CID 155471967

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium?
The IUPAC name of 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium (CID 123218456) is 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium.
What is the SMILES notation for 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium?
The canonical SMILES for 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium is C#[N+]C(C)C1CCC(=C)CC1.
What is the InChIKey of 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium?
The InChIKey is QLRBAKMYFXOBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-8-4-6-10(7-5-8)9(2)11-3/h3,9-10H,1,4-7H2,2H3/q+1.
What are the key properties of 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium?
1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium has a molecular weight of 150.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenecyclohexyl)ethyl-methylidyneazanium is sourced from PubChem (CID 123218456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).