cyclohept-4-en-1-yl-methyl-methylideneazanium

C9H16N+ — CID 91414804

IUPACcyclohept-4-en-1-yl-methyl-methylideneazanium
SMILESC=[N+](C)C1CCC=CCC1
InChIInChI=1S/C9H16N/c1-10(2)9-7-5-3-4-6-8-9/h3-4,9H,1,5-8H2,2H3/q+1
InChIKeyONZPNLKUPSFXKU-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.83
Rot. Bonds1

About cyclohept-4-en-1-yl-methyl-methylideneazanium

cyclohept-4-en-1-yl-methyl-methylideneazanium (PubChem CID 91414804) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is cyclohept-4-en-1-yl-methyl-methylideneazanium.

Molecular Properties

Compound Namecyclohept-4-en-1-yl-methyl-methylideneazanium
PubChem CID91414804
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Namecyclohept-4-en-1-yl-methyl-methylideneazanium
SMILESC=[N+](C)C1CCC=CCC1
InChIInChI=1S/C9H16N/c1-10(2)9-7-5-3-4-6-8-9/h3-4,9H,1,5-8H2,2H3/q+1
InChIKeyONZPNLKUPSFXKU-UHFFFAOYSA-N
XLogP1.83
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylcyclohept-4-en-1-amine
CID 143122701
7-fluoro-N,N-dimethylcyclohept-3-en-1-amine
CID 169915098
N,N-dimethylcyclohept-2-en-1-amine
CID 13474809
N,N-dimethylundec-7-en-4-amine
CID 170848020
N,N-dimethylundec-8-en-4-amine
CID 170848021
(E)-N,N-dimethylundec-2-en-5-amine
CID 20471400
N,N-dimethylundec-2-en-5-amine
CID 57009622
(E)-N,N-dimethylundec-4-en-1-amine
CID 92038930
Methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium
CID 123601281
Hex-5-en-2-yl-methyl-methylideneazanium
CID 123858998
N-[(E)-oct-6-en-4-yl]methanimine
CID 124181997
2-Ethyl-1-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 130305588

Frequently Asked Questions

What is the IUPAC name of cyclohept-4-en-1-yl-methyl-methylideneazanium?
The IUPAC name of cyclohept-4-en-1-yl-methyl-methylideneazanium (CID 91414804) is cyclohept-4-en-1-yl-methyl-methylideneazanium.
What is the SMILES notation for cyclohept-4-en-1-yl-methyl-methylideneazanium?
The canonical SMILES for cyclohept-4-en-1-yl-methyl-methylideneazanium is C=[N+](C)C1CCC=CCC1.
What is the InChIKey of cyclohept-4-en-1-yl-methyl-methylideneazanium?
The InChIKey is ONZPNLKUPSFXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-10(2)9-7-5-3-4-6-8-9/h3-4,9H,1,5-8H2,2H3/q+1.
What are the key properties of cyclohept-4-en-1-yl-methyl-methylideneazanium?
cyclohept-4-en-1-yl-methyl-methylideneazanium has a molecular weight of 138.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-4-en-1-yl-methyl-methylideneazanium is sourced from PubChem (CID 91414804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).