1-cyanobutan-2-ylazanium

C5H11N2+ — CID 59058535

IUPAC1-cyanobutan-2-ylazanium
SMILESCCC([NH3+])CC#N
InChIInChI=1S/C5H10N2/c1-2-5(7)3-4-6/h5H,2-3,7H2,1H3/p+1
InChIKeyFVPPLRDSFQDFLX-UHFFFAOYSA-O
MW99.16 g/mol
LogP-0.08
Rot. Bonds2

About 1-cyanobutan-2-ylazanium

1-cyanobutan-2-ylazanium (PubChem CID 59058535) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is 1-cyanobutan-2-ylazanium.

Molecular Properties

Compound Name1-cyanobutan-2-ylazanium
PubChem CID59058535
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1-cyanobutan-2-ylazanium
SMILESCCC([NH3+])CC#N
InChIInChI=1S/C5H10N2/c1-2-5(7)3-4-6/h5H,2-3,7H2,1H3/p+1
InChIKeyFVPPLRDSFQDFLX-UHFFFAOYSA-O
XLogP-0.08
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Aminopentanenitrile
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Butyronitrile, 3-amino-
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2-Aminopentanenitrile hydrochloride
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2-Aminobutanenitrile hydrochloride
CID 13352436
3-Aminobutanenitrile hydrochloride
CID 21546919
(2S)-2-aminobutanenitrile hydrochloride
CID 75481259
(3S)-3-aminobutanenitrile hydrochloride
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2-Aminobutanenitrile
CID 419293

Frequently Asked Questions

What is the IUPAC name of 1-cyanobutan-2-ylazanium?
The IUPAC name of 1-cyanobutan-2-ylazanium (CID 59058535) is 1-cyanobutan-2-ylazanium.
What is the SMILES notation for 1-cyanobutan-2-ylazanium?
The canonical SMILES for 1-cyanobutan-2-ylazanium is CCC([NH3+])CC#N.
What is the InChIKey of 1-cyanobutan-2-ylazanium?
The InChIKey is FVPPLRDSFQDFLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2/c1-2-5(7)3-4-6/h5H,2-3,7H2,1H3/p+1.
What are the key properties of 1-cyanobutan-2-ylazanium?
1-cyanobutan-2-ylazanium has a molecular weight of 99.16 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanobutan-2-ylazanium is sourced from PubChem (CID 59058535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).