2-iodo-N,N,2-trimethylpropanimidamide

C6H13IN2 — CID 129106439

IUPAC2-iodo-N,N,2-trimethylpropanimidamide
SMILES[H]/N=C(\N(C)C)C(C)(C)I
InChIInChI=1S/C6H13IN2/c1-6(2,7)5(8)9(3)4/h8H,1-4H3/b8-5-
InChIKeyKTWJSTUZAJQSNC-YVMONPNESA-N
MW240.09 g/mol
LogP1.74
Rot. Bonds1

About 2-iodo-N,N,2-trimethylpropanimidamide

2-iodo-N,N,2-trimethylpropanimidamide (PubChem CID 129106439) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is 2-iodo-N,N,2-trimethylpropanimidamide.

Molecular Properties

Compound Name2-iodo-N,N,2-trimethylpropanimidamide
PubChem CID129106439
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC Name2-iodo-N,N,2-trimethylpropanimidamide
SMILES[H]/N=C(\N(C)C)C(C)(C)I
InChIInChI=1S/C6H13IN2/c1-6(2,7)5(8)9(3)4/h8H,1-4H3/b8-5-
InChIKeyKTWJSTUZAJQSNC-YVMONPNESA-N
XLogP1.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
2-ethyl-N,N,2,4,5-pentamethylhexanimidamide
CID 123958518
N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide
CID 63176690
N,N-dibutyl-2,2-dimethylpropanimidamide
CID 63175509
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide
CID 63209126
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide
CID 167052160
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
CID 88682849
N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
CID 63176433

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N,2-trimethylpropanimidamide?
The IUPAC name of 2-iodo-N,N,2-trimethylpropanimidamide (CID 129106439) is 2-iodo-N,N,2-trimethylpropanimidamide.
What is the SMILES notation for 2-iodo-N,N,2-trimethylpropanimidamide?
The canonical SMILES for 2-iodo-N,N,2-trimethylpropanimidamide is [H]/N=C(\N(C)C)C(C)(C)I.
What is the InChIKey of 2-iodo-N,N,2-trimethylpropanimidamide?
The InChIKey is KTWJSTUZAJQSNC-YVMONPNESA-N. The full InChI is InChI=1S/C6H13IN2/c1-6(2,7)5(8)9(3)4/h8H,1-4H3/b8-5-.
What are the key properties of 2-iodo-N,N,2-trimethylpropanimidamide?
2-iodo-N,N,2-trimethylpropanimidamide has a molecular weight of 240.09 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N,2-trimethylpropanimidamide is sourced from PubChem (CID 129106439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).