trimethyl(pent-4-enyl)azanium iodide

C8H18IN — CID 22485

IUPACtrimethyl(pent-4-enyl)azanium iodide
SMILESC=CCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H18N.HI/c1-5-6-7-8-9(2,3)4;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyBCKDASRNFSSENH-UHFFFAOYSA-M
MW255.14 g/mol
LogP-1.34
Rot. Bonds4

About trimethyl(pent-4-enyl)azanium iodide

trimethyl(pent-4-enyl)azanium iodide (PubChem CID 22485) has the molecular formula C8H18IN and a molecular weight of 255.14 g/mol. Its IUPAC name is trimethyl(pent-4-enyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(pent-4-enyl)azanium iodide
PubChem CID22485
Molecular FormulaC8H18IN
Molecular Weight255.14 g/mol
Exact Mass255.05
IUPAC Nametrimethyl(pent-4-enyl)azanium iodide
SMILESC=CCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H18N.HI/c1-5-6-7-8-9(2,3)4;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyBCKDASRNFSSENH-UHFFFAOYSA-M
XLogP-1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Penten-1-amine, N,N-dimethyl-
CID 546909
Trimethyl(pent-4-enyl)azanium
CID 22486
But-3-enyl-trimethyl-ammonium; bromide
CID 26007
N,N-Diethyl-4-penten-1-amine
CID 559585
Ammonium, 3-butenyltrimethyl-, iodide
CID 26006
Ammonium, 5-hexenyltrimethyl-, iodide
CID 202893
triethyl-[(E)-5-iodopent-4-enyl]azanium iodide
CID 44383587
N,N-dimethylpent-4-en-1-amine;hydrobromide
CID 49796713
N,N-dimethyl-5-hexene-1-amine
CID 16641201
3-Buten-1-amine, N,N-diethyl-
CID 559299
N-but-3-enyl-N-methylbut-3-en-1-amine
CID 13774522
5-(N,N-diisobutylamino)-1-pentene
CID 88291345

Frequently Asked Questions

What is the IUPAC name of trimethyl(pent-4-enyl)azanium iodide?
The IUPAC name of trimethyl(pent-4-enyl)azanium iodide (CID 22485) is trimethyl(pent-4-enyl)azanium iodide.
What is the SMILES notation for trimethyl(pent-4-enyl)azanium iodide?
The canonical SMILES for trimethyl(pent-4-enyl)azanium iodide is C=CCCC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(pent-4-enyl)azanium iodide?
The InChIKey is BCKDASRNFSSENH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N.HI/c1-5-6-7-8-9(2,3)4;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(pent-4-enyl)azanium iodide?
trimethyl(pent-4-enyl)azanium iodide has a molecular weight of 255.14 g/mol, XLogP of -1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pent-4-enyl)azanium iodide is sourced from PubChem (CID 22485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).