butyl-methyl-prop-2-enylazanium

C8H18N+ — CID 58300933

IUPACbutyl-methyl-prop-2-enylazanium
SMILESC=CC[NH+](C)CCCC
InChIInChI=1S/C8H17N/c1-4-6-8-9(3)7-5-2/h5H,2,4,6-8H2,1,3H3/p+1
InChIKeyDCEKOMOFQSMZIM-UHFFFAOYSA-O
MW128.24 g/mol
LogP0.49
Rot. Bonds5

About butyl-methyl-prop-2-enylazanium

butyl-methyl-prop-2-enylazanium (PubChem CID 58300933) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is butyl-methyl-prop-2-enylazanium.

Molecular Properties

Compound Namebutyl-methyl-prop-2-enylazanium
PubChem CID58300933
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Namebutyl-methyl-prop-2-enylazanium
SMILESC=CC[NH+](C)CCCC
InChIInChI=1S/C8H17N/c1-4-6-8-9(3)7-5-2/h5H,2,4,6-8H2,1,3H3/p+1
InChIKeyDCEKOMOFQSMZIM-UHFFFAOYSA-O
XLogP0.49
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-octyl-pentylazanium bromide
CID 139956021
docosyl-methyl-tetradecylazanium chloride
CID 141288943
heptyl-hexyl-methylazanium bromide
CID 139955900
methyl-di(undecyl)azanium iodide
CID 139956406
carboxy-pentyl-prop-2-enylazanium
CID 173409911
but-1-ene;ethane;pentane
CID 142205498
methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium
CID 143837679
2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium
CID 21354910
ethyl-hexacosyl-methylazanium chloride
CID 87596133
dodecyl-ethyl-methylazanium bromide
CID 87851424
but-1-ene;ethane;nonane
CID 170645806
N-methylbutan-1-amine oxide
CID 163978992

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-prop-2-enylazanium?
The IUPAC name of butyl-methyl-prop-2-enylazanium (CID 58300933) is butyl-methyl-prop-2-enylazanium.
What is the SMILES notation for butyl-methyl-prop-2-enylazanium?
The canonical SMILES for butyl-methyl-prop-2-enylazanium is C=CC[NH+](C)CCCC.
What is the InChIKey of butyl-methyl-prop-2-enylazanium?
The InChIKey is DCEKOMOFQSMZIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N/c1-4-6-8-9(3)7-5-2/h5H,2,4,6-8H2,1,3H3/p+1.
What are the key properties of butyl-methyl-prop-2-enylazanium?
butyl-methyl-prop-2-enylazanium has a molecular weight of 128.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-prop-2-enylazanium is sourced from PubChem (CID 58300933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).