cyanomethyl-diethyl-methylazanium iodide

C7H15IN2 — CID 18162

IUPACcyanomethyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CC#N.[I-]
InChIInChI=1S/C7H15N2.HI/c1-4-9(3,5-2)7-6-8;/h4-5,7H2,1-3H3;1H/q+1;/p-1
InChIKeyGQSSPFXFEBCPPC-UHFFFAOYSA-M
MW254.11 g/mol
LogP-2.00
Rot. Bonds3

About cyanomethyl-diethyl-methylazanium iodide

cyanomethyl-diethyl-methylazanium iodide (PubChem CID 18162) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is cyanomethyl-diethyl-methylazanium iodide.

Molecular Properties

Compound Namecyanomethyl-diethyl-methylazanium iodide
PubChem CID18162
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Namecyanomethyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CC#N.[I-]
InChIInChI=1S/C7H15N2.HI/c1-4-9(3,5-2)7-6-8;/h4-5,7H2,1-3H3;1H/q+1;/p-1
InChIKeyGQSSPFXFEBCPPC-UHFFFAOYSA-M
XLogP-2.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 5-2.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyanoethyl-diethyl-methylazanium iodide
CID 131863694
cyanomethyl-dihexyl-methylazanium
CID 21018206
diethyl-methyl-pent-2-ynylazanium
CID 59019143
10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium
CID 24837342
amino-(cyanomethyl)-dimethylazanium bromide
CID 139256595
cyanomethyl-[3-[cyanomethyl(diethyl)azaniumyl]propyl]-diethylazanium dichloride
CID 87699799
cyanomethyl-(hydroxymethyl)-dimethylazanium
CID 21025002
butane;propanenitrile
CID 174979809
dibutyl-(3-cyanopropyl)-methylazanium
CID 59019089
ethyl(trimethyl)azanium;dihydrate
CID 174491612
cyanic acid;tributyl(methyl)azanium
CID 88689945
dibutyl-ethyl-methylazanium chloride
CID 22486999

Frequently Asked Questions

What is the IUPAC name of cyanomethyl-diethyl-methylazanium iodide?
The IUPAC name of cyanomethyl-diethyl-methylazanium iodide (CID 18162) is cyanomethyl-diethyl-methylazanium iodide.
What is the SMILES notation for cyanomethyl-diethyl-methylazanium iodide?
The canonical SMILES for cyanomethyl-diethyl-methylazanium iodide is CC[N+](C)(CC)CC#N.[I-].
What is the InChIKey of cyanomethyl-diethyl-methylazanium iodide?
The InChIKey is GQSSPFXFEBCPPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N2.HI/c1-4-9(3,5-2)7-6-8;/h4-5,7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of cyanomethyl-diethyl-methylazanium iodide?
cyanomethyl-diethyl-methylazanium iodide has a molecular weight of 254.11 g/mol, XLogP of -2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl-diethyl-methylazanium iodide is sourced from PubChem (CID 18162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).