cyclopropyl-dimethyl-prop-2-enylazanium

C8H16N+ — CID 138504262

IUPACcyclopropyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C1CC1
InChIInChI=1S/C8H16N/c1-4-7-9(2,3)8-5-6-8/h4,8H,1,5-7H2,2-3H3/q+1
InChIKeyNNPPKDWBRMYGQB-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.41
Rot. Bonds3

About cyclopropyl-dimethyl-prop-2-enylazanium

cyclopropyl-dimethyl-prop-2-enylazanium (PubChem CID 138504262) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is cyclopropyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Namecyclopropyl-dimethyl-prop-2-enylazanium
PubChem CID138504262
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namecyclopropyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C1CC1
InChIInChI=1S/C8H16N/c1-4-7-9(2,3)8-5-6-8/h4,8H,1,5-7H2,2-3H3/q+1
InChIKeyNNPPKDWBRMYGQB-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-dimethyl-prop-2-enylazanium?
The IUPAC name of cyclopropyl-dimethyl-prop-2-enylazanium (CID 138504262) is cyclopropyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for cyclopropyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for cyclopropyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)C1CC1.
What is the InChIKey of cyclopropyl-dimethyl-prop-2-enylazanium?
The InChIKey is NNPPKDWBRMYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-4-7-9(2,3)8-5-6-8/h4,8H,1,5-7H2,2-3H3/q+1.
What are the key properties of cyclopropyl-dimethyl-prop-2-enylazanium?
cyclopropyl-dimethyl-prop-2-enylazanium has a molecular weight of 126.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 138504262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).