trimethyl(4-methylpent-2-ynyl)azanium

C9H18N+ — CID 165382531

IUPACtrimethyl(4-methylpent-2-ynyl)azanium
SMILESCC(C)C#CC[N+](C)(C)C
InChIInChI=1S/C9H18N/c1-9(2)7-6-8-10(3,4)5/h9H,8H2,1-5H3/q+1
InChIKeyFSRKHRLKJVXEME-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.35
Rot. Bonds1

About trimethyl(4-methylpent-2-ynyl)azanium

trimethyl(4-methylpent-2-ynyl)azanium (PubChem CID 165382531) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is trimethyl(4-methylpent-2-ynyl)azanium.

Molecular Properties

Compound Nametrimethyl(4-methylpent-2-ynyl)azanium
PubChem CID165382531
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Nametrimethyl(4-methylpent-2-ynyl)azanium
SMILESCC(C)C#CC[N+](C)(C)C
InChIInChI=1S/C9H18N/c1-9(2)7-6-8-10(3,4)5/h9H,8H2,1-5H3/q+1
InChIKeyFSRKHRLKJVXEME-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

hex-2-ynyl(trimethyl)azanium
CID 71317889
N-ethyl-4-methylpent-2-yn-1-amine
CID 87579877
trimethyl(4-methylpent-4-en-2-ynyl)azanium
CID 13214284
6-methylhept-4-yn-1-amine
CID 21391829
2,6,8-trimethylnon-3-yne
CID 158350500
6-methoxy-2,6-dimethyloct-3-yne
CID 121217203
7-methyloct-1-en-5-yne
CID 174059005
(6S)-2,6,9-trimethyldec-3-yne
CID 159280612
2-methylpropane;sulfane
CID 20976886
4,9-dimethyldeca-2,7-diyne
CID 173015468
(7R)-2,7,9-trimethyldec-3-yne
CID 159280614
4-methyl-1-prop-2-enoxypent-2-yne
CID 57470526

Frequently Asked Questions

What is the IUPAC name of trimethyl(4-methylpent-2-ynyl)azanium?
The IUPAC name of trimethyl(4-methylpent-2-ynyl)azanium (CID 165382531) is trimethyl(4-methylpent-2-ynyl)azanium.
What is the SMILES notation for trimethyl(4-methylpent-2-ynyl)azanium?
The canonical SMILES for trimethyl(4-methylpent-2-ynyl)azanium is CC(C)C#CC[N+](C)(C)C.
What is the InChIKey of trimethyl(4-methylpent-2-ynyl)azanium?
The InChIKey is FSRKHRLKJVXEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-9(2)7-6-8-10(3,4)5/h9H,8H2,1-5H3/q+1.
What are the key properties of trimethyl(4-methylpent-2-ynyl)azanium?
trimethyl(4-methylpent-2-ynyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(4-methylpent-2-ynyl)azanium is sourced from PubChem (CID 165382531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).