trimethyl(pent-2-ynyl)azanium iodide

C8H16IN — CID 20002

IUPACtrimethyl(pent-2-ynyl)azanium iodide
SMILESCCC#CC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H16N.HI/c1-5-6-7-8-9(2,3)4;/h5,8H2,1-4H3;1H/q+1;/p-1
InChIKeyHCIZTSPNWBFPJD-UHFFFAOYSA-M
MW253.13 g/mol
LogP-1.89
Rot. Bonds1

About trimethyl(pent-2-ynyl)azanium iodide

trimethyl(pent-2-ynyl)azanium iodide (PubChem CID 20002) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is trimethyl(pent-2-ynyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(pent-2-ynyl)azanium iodide
PubChem CID20002
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Nametrimethyl(pent-2-ynyl)azanium iodide
SMILESCCC#CC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H16N.HI/c1-5-6-7-8-9(2,3)4;/h5,8H2,1-4H3;1H/q+1;/p-1
InChIKeyHCIZTSPNWBFPJD-UHFFFAOYSA-M
XLogP-1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(dimethylamino)-2-butyne
CID 66075
1-Dimethylamino-2-pentyne
CID 139008
Ammonium, 2-butynyltrimethyl-, iodide
CID 43271
1-Diethylamino-2-pentyne
CID 144581
n,n-Diethylhept-2-yn-1-amine
CID 258863
N,N-diethylpent-3-yn-1-amine
CID 11275043
N,N-Diethylhex-1-yn-1-amine
CID 12829380
N,N-Diethylbut-1-yn-1-amine
CID 13788550
N-pent-2-ynyl-N-propylpent-2-yn-1-amine
CID 14092319
N,N-diethylpent-1-yn-1-amine
CID 21436551
N,N-dimethylhept-2-yn-1-amine
CID 44720586
N,N-dimethyloct-2-yn-1-amine
CID 85808639

Frequently Asked Questions

What is the IUPAC name of trimethyl(pent-2-ynyl)azanium iodide?
The IUPAC name of trimethyl(pent-2-ynyl)azanium iodide (CID 20002) is trimethyl(pent-2-ynyl)azanium iodide.
What is the SMILES notation for trimethyl(pent-2-ynyl)azanium iodide?
The canonical SMILES for trimethyl(pent-2-ynyl)azanium iodide is CCC#CC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(pent-2-ynyl)azanium iodide?
The InChIKey is HCIZTSPNWBFPJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.HI/c1-5-6-7-8-9(2,3)4;/h5,8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(pent-2-ynyl)azanium iodide?
trimethyl(pent-2-ynyl)azanium iodide has a molecular weight of 253.13 g/mol, XLogP of -1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pent-2-ynyl)azanium iodide is sourced from PubChem (CID 20002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).