but-2-ynyl(2-methylpropyl)azanium

C8H16N+ — CID 7015377

IUPACbut-2-ynyl(2-methylpropyl)azanium
SMILESCC#CC[NH2+]CC(C)C
InChIInChI=1S/C8H15N/c1-4-5-6-9-7-8(2)3/h8-9H,6-7H2,1-3H3/p+1
InChIKeyVXRAZZHIHSYSPL-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.23
Rot. Bonds3

About but-2-ynyl(2-methylpropyl)azanium

but-2-ynyl(2-methylpropyl)azanium (PubChem CID 7015377) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is but-2-ynyl(2-methylpropyl)azanium.

Molecular Properties

Compound Namebut-2-ynyl(2-methylpropyl)azanium
PubChem CID7015377
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namebut-2-ynyl(2-methylpropyl)azanium
SMILESCC#CC[NH2+]CC(C)C
InChIInChI=1S/C8H15N/c1-4-5-6-9-7-8(2)3/h8-9H,6-7H2,1-3H3/p+1
InChIKeyVXRAZZHIHSYSPL-UHFFFAOYSA-O
XLogP0.23
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-4-methylpentan-2-amine
CID 62310142
2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
CID 7020358
(E)-dec-5-en-2,8-diyne
CID 13442496
N,2-dimethyloct-6-yn-4-amine
CID 62312179
but-2-yne;ethane;2-methylpropane
CID 144864902
1-chlorohex-1-en-4-yne
CID 173459693
17-methyloctadec-2-yne
CID 123546762
bis(but-2-yne);ethane;2-methylbutane
CID 144516003
2-methylpropyl(oxido)azanium
CID 170533392
2-(4-but-2-ynylpiperazin-1-yl)propanenitrile
CID 63339201
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
CID 102870139
1-but-2-ynyl-4-(2-methylpropyl)piperazine
CID 167156529

Frequently Asked Questions

What is the IUPAC name of but-2-ynyl(2-methylpropyl)azanium?
The IUPAC name of but-2-ynyl(2-methylpropyl)azanium (CID 7015377) is but-2-ynyl(2-methylpropyl)azanium.
What is the SMILES notation for but-2-ynyl(2-methylpropyl)azanium?
The canonical SMILES for but-2-ynyl(2-methylpropyl)azanium is CC#CC[NH2+]CC(C)C.
What is the InChIKey of but-2-ynyl(2-methylpropyl)azanium?
The InChIKey is VXRAZZHIHSYSPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-4-5-6-9-7-8(2)3/h8-9H,6-7H2,1-3H3/p+1.
What are the key properties of but-2-ynyl(2-methylpropyl)azanium?
but-2-ynyl(2-methylpropyl)azanium has a molecular weight of 126.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynyl(2-methylpropyl)azanium is sourced from PubChem (CID 7015377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).