methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium

C8H17N2+ — CID 12848631

IUPACmethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
SMILESCC(C)N=C=[N+](C)C(C)C
InChIInChI=1S/C8H17N2/c1-7(2)9-6-10(5)8(3)4/h7-8H,1-5H3/q+1
InChIKeyWOHNPYQEARREBI-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.62
Rot. Bonds2

About methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium

methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium (PubChem CID 12848631) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium.

Molecular Properties

Compound Namemethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
PubChem CID12848631
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Namemethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
SMILESCC(C)N=C=[N+](C)C(C)C
InChIInChI=1S/C8H17N2/c1-7(2)9-6-10(5)8(3)4/h7-8H,1-5H3/q+1
InChIKeyWOHNPYQEARREBI-UHFFFAOYSA-N
XLogP1.62
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-yl-(propan-2-yliminomethylidene)azanium?
The IUPAC name of methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium (CID 12848631) is methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium.
What is the SMILES notation for methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
The canonical SMILES for methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium is CC(C)N=C=[N+](C)C(C)C.
What is the InChIKey of methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
The InChIKey is WOHNPYQEARREBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-7(2)9-6-10(5)8(3)4/h7-8H,1-5H3/q+1.
What are the key properties of methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium has a molecular weight of 141.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-propan-2-yl-(propan-2-yliminomethylidene)azanium is sourced from PubChem (CID 12848631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).