propan-2-yl(propan-2-ylidene)azanium

C6H14N+ — CID 6995479

IUPACpropan-2-yl(propan-2-ylidene)azanium
SMILESCC(C)=[NH+]C(C)C
InChIInChI=1S/C6H13N/c1-5(2)7-6(3)4/h5H,1-4H3/p+1
InChIKeyUCJOAMOXKLJGST-UHFFFAOYSA-O
MW100.18 g/mol
LogP-0.04
Rot. Bonds1

About propan-2-yl(propan-2-ylidene)azanium

propan-2-yl(propan-2-ylidene)azanium (PubChem CID 6995479) has the molecular formula C6H14N+ and a molecular weight of 100.18 g/mol. Its IUPAC name is propan-2-yl(propan-2-ylidene)azanium.

Molecular Properties

Compound Namepropan-2-yl(propan-2-ylidene)azanium
PubChem CID6995479
Molecular FormulaC6H14N+
Molecular Weight100.18 g/mol
Exact Mass100.11
IUPAC Namepropan-2-yl(propan-2-ylidene)azanium
SMILESCC(C)=[NH+]C(C)C
InChIInChI=1S/C6H13N/c1-5(2)7-6(3)4/h5H,1-4H3/p+1
InChIKeyUCJOAMOXKLJGST-UHFFFAOYSA-O
XLogP-0.04
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 5-0.04
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(propan-2-ylidene)azanium?
The IUPAC name of propan-2-yl(propan-2-ylidene)azanium (CID 6995479) is propan-2-yl(propan-2-ylidene)azanium.
What is the SMILES notation for propan-2-yl(propan-2-ylidene)azanium?
The canonical SMILES for propan-2-yl(propan-2-ylidene)azanium is CC(C)=[NH+]C(C)C.
What is the InChIKey of propan-2-yl(propan-2-ylidene)azanium?
The InChIKey is UCJOAMOXKLJGST-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N/c1-5(2)7-6(3)4/h5H,1-4H3/p+1.
What are the key properties of propan-2-yl(propan-2-ylidene)azanium?
propan-2-yl(propan-2-ylidene)azanium has a molecular weight of 100.18 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl(propan-2-ylidene)azanium is sourced from PubChem (CID 6995479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).