2,2,2-trichloro-N'-propan-2-ylethanimidamide

C5H9Cl3N2 — CID 119096622

IUPAC2,2,2-trichloro-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(\N)C(Cl)(Cl)Cl
InChIInChI=1S/C5H9Cl3N2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3,(H2,9,10)
InChIKeyIQALKAISVFKLED-UHFFFAOYSA-N
MW203.50 g/mol
LogP2.12
Rot. Bonds1

About 2,2,2-trichloro-N'-propan-2-ylethanimidamide

2,2,2-trichloro-N'-propan-2-ylethanimidamide (PubChem CID 119096622) has the molecular formula C5H9Cl3N2 and a molecular weight of 203.50 g/mol. Its IUPAC name is 2,2,2-trichloro-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N'-propan-2-ylethanimidamide
PubChem CID119096622
Molecular FormulaC5H9Cl3N2
Molecular Weight203.50 g/mol
Exact Mass201.98
IUPAC Name2,2,2-trichloro-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(\N)C(Cl)(Cl)Cl
InChIInChI=1S/C5H9Cl3N2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3,(H2,9,10)
InChIKeyIQALKAISVFKLED-UHFFFAOYSA-N
XLogP2.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.50
LogP ≤ 52.12
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'}

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Related Compounds

3-chloro-3-methyl-N-propan-2-ylbutan-2-imine
CID 12696210
(2S)-2-amino-N'-propan-2-ylpropanimidamide
CID 153012728
2,2,2-trichloro-N'-cyanoethanimidamide
CID 2305420
2-propan-2-ylguanidine;sulfuric acid
CID 11644095
1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-propan-2-ylguanidine
CID 107865986
2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide
CID 104830077
2-methoxy-3,3-dimethyl-N'-propan-2-ylbutanimidamide
CID 116732354
(3R)-3-chloro-N-propan-2-ylbutan-2-imine
CID 102396350
3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 107918188
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N'-propan-2-ylethanimidamide?
The IUPAC name of 2,2,2-trichloro-N'-propan-2-ylethanimidamide (CID 119096622) is 2,2,2-trichloro-N'-propan-2-ylethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N'-propan-2-ylethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N'-propan-2-ylethanimidamide is CC(C)/N=C(\N)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N'-propan-2-ylethanimidamide?
The InChIKey is IQALKAISVFKLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl3N2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3,(H2,9,10).
What are the key properties of 2,2,2-trichloro-N'-propan-2-ylethanimidamide?
2,2,2-trichloro-N'-propan-2-ylethanimidamide has a molecular weight of 203.50 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 119096622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).