3-aminopropyl-dimethyl-prop-2-enylazanium

C8H19N2+ — CID 3017461

IUPAC3-aminopropyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCN
InChIInChI=1S/C8H19N2/c1-4-7-10(2,3)8-5-6-9/h4H,1,5-9H2,2-3H3/q+1
InChIKeyMARTZABHRGCWDE-UHFFFAOYSA-N
MW143.25 g/mol
LogP0.60
Rot. Bonds5

About 3-aminopropyl-dimethyl-prop-2-enylazanium

3-aminopropyl-dimethyl-prop-2-enylazanium (PubChem CID 3017461) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-aminopropyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name3-aminopropyl-dimethyl-prop-2-enylazanium
PubChem CID3017461
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Name3-aminopropyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCN
InChIInChI=1S/C8H19N2/c1-4-7-10(2,3)8-5-6-9/h4H,1,5-9H2,2-3H3/q+1
InChIKeyMARTZABHRGCWDE-UHFFFAOYSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-aminopropyl-dimethyl-prop-2-enylazanium?
The IUPAC name of 3-aminopropyl-dimethyl-prop-2-enylazanium (CID 3017461) is 3-aminopropyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for 3-aminopropyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for 3-aminopropyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CCCN.
What is the InChIKey of 3-aminopropyl-dimethyl-prop-2-enylazanium?
The InChIKey is MARTZABHRGCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2/c1-4-7-10(2,3)8-5-6-9/h4H,1,5-9H2,2-3H3/q+1.
What are the key properties of 3-aminopropyl-dimethyl-prop-2-enylazanium?
3-aminopropyl-dimethyl-prop-2-enylazanium has a molecular weight of 143.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 3017461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).