methyl-prop-2-enylidene-propylazanium

C7H14N+ — CID 137414932

IUPACmethyl-prop-2-enylidene-propylazanium
SMILESC=C/C=[N+](\C)CCC
InChIInChI=1S/C7H14N/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/q+1/b8-6+
InChIKeyCLWYYCHDIIYDPR-SOFGYWHQSA-N
MW112.20 g/mol
LogP1.30
Rot. Bonds3

About methyl-prop-2-enylidene-propylazanium

methyl-prop-2-enylidene-propylazanium (PubChem CID 137414932) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is methyl-prop-2-enylidene-propylazanium.

Molecular Properties

Compound Namemethyl-prop-2-enylidene-propylazanium
PubChem CID137414932
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namemethyl-prop-2-enylidene-propylazanium
SMILESC=C/C=[N+](\C)CCC
InChIInChI=1S/C7H14N/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/q+1/b8-6+
InChIKeyCLWYYCHDIIYDPR-SOFGYWHQSA-N
XLogP1.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
(1E)-N-Methylprop-2-en-1-imine
CID 15361483
(E)-5-Azahepta-2,4-diene
CID 5463161
(E)-N-propylbut-2-en-1-imine
CID 10866289
1-Prop-2-enylideneaziridin-1-ium
CID 134940569
1,3-Dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
CID 164667678
[(Z)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 96570747
N-ethylbut-2-en-1-imine
CID 138000
(E)-N-methylbut-2-en-1-imine
CID 12475950
1-Methyl-2H-pyrrol-1-ium
CID 18335492

Frequently Asked Questions

What is the IUPAC name of methyl-prop-2-enylidene-propylazanium?
The IUPAC name of methyl-prop-2-enylidene-propylazanium (CID 137414932) is methyl-prop-2-enylidene-propylazanium.
What is the SMILES notation for methyl-prop-2-enylidene-propylazanium?
The canonical SMILES for methyl-prop-2-enylidene-propylazanium is C=C/C=[N+](\C)CCC.
What is the InChIKey of methyl-prop-2-enylidene-propylazanium?
The InChIKey is CLWYYCHDIIYDPR-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/q+1/b8-6+.
What are the key properties of methyl-prop-2-enylidene-propylazanium?
methyl-prop-2-enylidene-propylazanium has a molecular weight of 112.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-prop-2-enylidene-propylazanium is sourced from PubChem (CID 137414932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).