N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide

C12H18ClN3 — CID 61361102

IUPACN-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide
SMILESCC(C)(C)/N=C(/Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C12H18ClN3/c1-12(2,3)15-11(16-14)8-9-4-6-10(13)7-5-9/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyWMRPFYKRXOKNED-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.54
Rot. Bonds2

About N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide

N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide (PubChem CID 61361102) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide
PubChem CID61361102
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide
SMILESCC(C)(C)/N=C(/Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C12H18ClN3/c1-12(2,3)15-11(16-14)8-9-4-6-10(13)7-5-9/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyWMRPFYKRXOKNED-UHFFFAOYSA-N
XLogP2.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide
CID 61363432
1-(4-chlorophenyl)-4,4-dimethylpentane-2,3-dione
CID 13228660
N-amino-N'-methyl-2-phenylethanimidamide
CID 15751724
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134
2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide?
The IUPAC name of N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide (CID 61361102) is N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide?
The canonical SMILES for N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide is CC(C)(C)/N=C(/Cc1ccc(Cl)cc1)NN.
What is the InChIKey of N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide?
The InChIKey is WMRPFYKRXOKNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-12(2,3)15-11(16-14)8-9-4-6-10(13)7-5-9/h4-7H,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide?
N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide has a molecular weight of 239.75 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide is sourced from PubChem (CID 61361102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).