prop-2-enyl(tripropyl)azanium chloride

C12H26ClN — CID 23048566

IUPACprop-2-enyl(tripropyl)azanium chloride
SMILESC=CC[N+](CCC)(CCC)CCC.[Cl-]
InChIInChI=1S/C12H26N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5H,1,6-12H2,2-4H3;1H/q+1;/p-1
InChIKeyPQOFJFUZDNUBSF-UHFFFAOYSA-M
MW219.80 g/mol
LogP0.22
Rot. Bonds8

About prop-2-enyl(tripropyl)azanium chloride

prop-2-enyl(tripropyl)azanium chloride (PubChem CID 23048566) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is prop-2-enyl(tripropyl)azanium chloride.

Molecular Properties

Compound Nameprop-2-enyl(tripropyl)azanium chloride
PubChem CID23048566
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Nameprop-2-enyl(tripropyl)azanium chloride
SMILESC=CC[N+](CCC)(CCC)CCC.[Cl-]
InChIInChI=1S/C12H26N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5H,1,6-12H2,2-4H3;1H/q+1;/p-1
InChIKeyPQOFJFUZDNUBSF-UHFFFAOYSA-M
XLogP0.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 50.22
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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Related Compounds

CID 33286
CID 33286
CID 7617
CID 7617
CID 15198
CID 15198
CID 75501
CID 75501
CID 79748
CID 79748
CID 66922
CID 66922
CID 11264347
CID 11264347
CID 20151
CID 20151
CID 122377
CID 122377
CID 83148
CID 83148
CID 5370209
CID 5370209
CID 22019891
CID 22019891

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl(tripropyl)azanium chloride?
The IUPAC name of prop-2-enyl(tripropyl)azanium chloride (CID 23048566) is prop-2-enyl(tripropyl)azanium chloride.
What is the SMILES notation for prop-2-enyl(tripropyl)azanium chloride?
The canonical SMILES for prop-2-enyl(tripropyl)azanium chloride is C=CC[N+](CCC)(CCC)CCC.[Cl-].
What is the InChIKey of prop-2-enyl(tripropyl)azanium chloride?
The InChIKey is PQOFJFUZDNUBSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5H,1,6-12H2,2-4H3;1H/q+1;/p-1.
What are the key properties of prop-2-enyl(tripropyl)azanium chloride?
prop-2-enyl(tripropyl)azanium chloride has a molecular weight of 219.80 g/mol, XLogP of 0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl(tripropyl)azanium chloride is sourced from PubChem (CID 23048566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).