propan-2-yl(prop-2-enylidene)azanium

C6H12N+ — CID 137300492

IUPACpropan-2-yl(prop-2-enylidene)azanium
SMILESC=C/C=[NH+]/C(C)C
InChIInChI=1S/C6H11N/c1-4-5-7-6(2)3/h4-6H,1H2,2-3H3/p+1/b7-5+
InChIKeyQEQGRVRMLCPQIB-FNORWQNLSA-O
MW98.17 g/mol
LogP-0.27
Rot. Bonds2

About propan-2-yl(prop-2-enylidene)azanium

propan-2-yl(prop-2-enylidene)azanium (PubChem CID 137300492) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is propan-2-yl(prop-2-enylidene)azanium.

Molecular Properties

Compound Namepropan-2-yl(prop-2-enylidene)azanium
PubChem CID137300492
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namepropan-2-yl(prop-2-enylidene)azanium
SMILESC=C/C=[NH+]/C(C)C
InChIInChI=1S/C6H11N/c1-4-5-7-6(2)3/h4-6H,1H2,2-3H3/p+1/b7-5+
InChIKeyQEQGRVRMLCPQIB-FNORWQNLSA-O
XLogP-0.27
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl(prop-2-enylidene)azanium?
The IUPAC name of propan-2-yl(prop-2-enylidene)azanium (CID 137300492) is propan-2-yl(prop-2-enylidene)azanium.
What is the SMILES notation for propan-2-yl(prop-2-enylidene)azanium?
The canonical SMILES for propan-2-yl(prop-2-enylidene)azanium is C=C/C=[NH+]/C(C)C.
What is the InChIKey of propan-2-yl(prop-2-enylidene)azanium?
The InChIKey is QEQGRVRMLCPQIB-FNORWQNLSA-O. The full InChI is InChI=1S/C6H11N/c1-4-5-7-6(2)3/h4-6H,1H2,2-3H3/p+1/b7-5+.
What are the key properties of propan-2-yl(prop-2-enylidene)azanium?
propan-2-yl(prop-2-enylidene)azanium has a molecular weight of 98.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl(prop-2-enylidene)azanium is sourced from PubChem (CID 137300492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).