3-methylbutan-2-ylideneazanium

C5H12N+ — CID 21364626

IUPAC3-methylbutan-2-ylideneazanium
SMILESCC(=[NH2+])C(C)C
InChIInChI=1S/C5H11N/c1-4(2)5(3)6/h4,6H,1-3H3/p+1
InChIKeyGCBDJHQUBANAEH-UHFFFAOYSA-O
MW86.16 g/mol
LogP-0.14
Rot. Bonds1

About 3-methylbutan-2-ylideneazanium

3-methylbutan-2-ylideneazanium (PubChem CID 21364626) has the molecular formula C5H12N+ and a molecular weight of 86.16 g/mol. Its IUPAC name is 3-methylbutan-2-ylideneazanium.

Molecular Properties

Compound Name3-methylbutan-2-ylideneazanium
PubChem CID21364626
Molecular FormulaC5H12N+
Molecular Weight86.16 g/mol
Exact Mass86.10
IUPAC Name3-methylbutan-2-ylideneazanium
SMILESCC(=[NH2+])C(C)C
InChIInChI=1S/C5H11N/c1-4(2)5(3)6/h4,6H,1-3H3/p+1
InChIKeyGCBDJHQUBANAEH-UHFFFAOYSA-O
XLogP-0.14
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethylbutan-2-imine
CID 11221343
Butan-2-imine
CID 12355452
4-Methylpentan-2-imine
CID 18426397
2,4-Dimethylpentan-3-imine
CID 20560155
1,1,1-Trifluoro-3-methylbutan-2-imine
CID 58977169
1,1-Difluoro-3-methylbutan-2-imine
CID 89424591
1-Fluoro-3-methylbutan-2-imine
CID 89424610
4-Fluoro-3-methylpentan-2-imine
CID 90764771
4,4,4-Trifluoro-3-methylbutan-2-imine
CID 90825020
3-Fluoro-3-methylbutan-2-imine
CID 138663374
5-Fluoro-3-methylpentan-2-imine
CID 175253618
4,4-Difluoro-3-methylbutan-2-imine
CID 162605613

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-ylideneazanium?
The IUPAC name of 3-methylbutan-2-ylideneazanium (CID 21364626) is 3-methylbutan-2-ylideneazanium.
What is the SMILES notation for 3-methylbutan-2-ylideneazanium?
The canonical SMILES for 3-methylbutan-2-ylideneazanium is CC(=[NH2+])C(C)C.
What is the InChIKey of 3-methylbutan-2-ylideneazanium?
The InChIKey is GCBDJHQUBANAEH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N/c1-4(2)5(3)6/h4,6H,1-3H3/p+1.
What are the key properties of 3-methylbutan-2-ylideneazanium?
3-methylbutan-2-ylideneazanium has a molecular weight of 86.16 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-ylideneazanium is sourced from PubChem (CID 21364626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).