butyl-ethenyl-methylazanium

C7H16N+ — CID 18732228

IUPACbutyl-ethenyl-methylazanium
SMILESC=C[NH+](C)CCCC
InChIInChI=1S/C7H15N/c1-4-6-7-8(3)5-2/h5H,2,4,6-7H2,1,3H3/p+1
InChIKeySAXAKLWQSDWIQM-UHFFFAOYSA-O
MW114.21 g/mol
LogP0.44
Rot. Bonds4

About butyl-ethenyl-methylazanium

butyl-ethenyl-methylazanium (PubChem CID 18732228) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is butyl-ethenyl-methylazanium.

Molecular Properties

Compound Namebutyl-ethenyl-methylazanium
PubChem CID18732228
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Namebutyl-ethenyl-methylazanium
SMILESC=C[NH+](C)CCCC
InChIInChI=1S/C7H15N/c1-4-6-7-8(3)5-2/h5H,2,4,6-7H2,1,3H3/p+1
InChIKeySAXAKLWQSDWIQM-UHFFFAOYSA-O
XLogP0.44
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butyl-ethenyl-methylazanium?
The IUPAC name of butyl-ethenyl-methylazanium (CID 18732228) is butyl-ethenyl-methylazanium.
What is the SMILES notation for butyl-ethenyl-methylazanium?
The canonical SMILES for butyl-ethenyl-methylazanium is C=C[NH+](C)CCCC.
What is the InChIKey of butyl-ethenyl-methylazanium?
The InChIKey is SAXAKLWQSDWIQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N/c1-4-6-7-8(3)5-2/h5H,2,4,6-7H2,1,3H3/p+1.
What are the key properties of butyl-ethenyl-methylazanium?
butyl-ethenyl-methylazanium has a molecular weight of 114.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethenyl-methylazanium is sourced from PubChem (CID 18732228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).