methyl-propan-2-ylidene-prop-1-en-2-ylazanium

C7H14N+ — CID 22974427

IUPACmethyl-propan-2-ylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](C)=C(C)C
InChIInChI=1S/C7H14N/c1-6(2)8(5)7(3)4/h1H2,2-5H3/q+1
InChIKeyRTVLSBFPTFQZDV-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.64
Rot. Bonds1

About methyl-propan-2-ylidene-prop-1-en-2-ylazanium

methyl-propan-2-ylidene-prop-1-en-2-ylazanium (PubChem CID 22974427) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is methyl-propan-2-ylidene-prop-1-en-2-ylazanium.

Molecular Properties

Compound Namemethyl-propan-2-ylidene-prop-1-en-2-ylazanium
PubChem CID22974427
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namemethyl-propan-2-ylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](C)=C(C)C
InChIInChI=1S/C7H14N/c1-6(2)8(5)7(3)4/h1H2,2-5H3/q+1
InChIKeyRTVLSBFPTFQZDV-UHFFFAOYSA-N
XLogP1.64
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of methyl-propan-2-ylidene-prop-1-en-2-ylazanium?
The IUPAC name of methyl-propan-2-ylidene-prop-1-en-2-ylazanium (CID 22974427) is methyl-propan-2-ylidene-prop-1-en-2-ylazanium.
What is the SMILES notation for methyl-propan-2-ylidene-prop-1-en-2-ylazanium?
The canonical SMILES for methyl-propan-2-ylidene-prop-1-en-2-ylazanium is C=C(C)[N+](C)=C(C)C.
What is the InChIKey of methyl-propan-2-ylidene-prop-1-en-2-ylazanium?
The InChIKey is RTVLSBFPTFQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-6(2)8(5)7(3)4/h1H2,2-5H3/q+1.
What are the key properties of methyl-propan-2-ylidene-prop-1-en-2-ylazanium?
methyl-propan-2-ylidene-prop-1-en-2-ylazanium has a molecular weight of 112.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-propan-2-ylidene-prop-1-en-2-ylazanium is sourced from PubChem (CID 22974427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).