N'-amino-2-ethylbenzenecarboximidamide

C9H13N3 — CID 54190034

IUPACN'-amino-2-ethylbenzenecarboximidamide
SMILESCCc1ccccc1C(N)=NN
InChIInChI=1S/C9H13N3/c1-2-7-5-3-4-6-8(7)9(10)12-11/h3-6H,2,11H2,1H3,(H2,10,12)
InChIKeyPHVXJCUGBKNYRI-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.83
Rot. Bonds2

About N'-amino-2-ethylbenzenecarboximidamide

N'-amino-2-ethylbenzenecarboximidamide (PubChem CID 54190034) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N'-amino-2-ethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-ethylbenzenecarboximidamide
PubChem CID54190034
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN'-amino-2-ethylbenzenecarboximidamide
SMILESCCc1ccccc1C(N)=NN
InChIInChI=1S/C9H13N3/c1-2-7-5-3-4-6-8(7)9(10)12-11/h3-6H,2,11H2,1H3,(H2,10,12)
InChIKeyPHVXJCUGBKNYRI-UHFFFAOYSA-N
XLogP0.83
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.83
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-(methoxymethyl)benzenecarboximidamide
CID 77073813
N'-amino-2-ethylpyridine-3-carboximidamide
CID 141290958
N',2-diaminobenzenecarboximidamide
CID 10307874
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
CID 121010367
2-ethylbenzoic acid;tungsten
CID 23518478
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
barium(2+);bis(2-ethylbenzoate)
CID 101299927
bis(2-ethylbenzoate);lead(2+)
CID 101297382
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-ethylbenzenecarbothioyl chloride
CID 23333077
1,2-diethylbenzene;formamide
CID 157370947
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-ethylbenzenecarboximidamide?
The IUPAC name of N'-amino-2-ethylbenzenecarboximidamide (CID 54190034) is N'-amino-2-ethylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-ethylbenzenecarboximidamide?
The canonical SMILES for N'-amino-2-ethylbenzenecarboximidamide is CCc1ccccc1C(N)=NN.
What is the InChIKey of N'-amino-2-ethylbenzenecarboximidamide?
The InChIKey is PHVXJCUGBKNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-5-3-4-6-8(7)9(10)12-11/h3-6H,2,11H2,1H3,(H2,10,12).
What are the key properties of N'-amino-2-ethylbenzenecarboximidamide?
N'-amino-2-ethylbenzenecarboximidamide has a molecular weight of 163.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-ethylbenzenecarboximidamide is sourced from PubChem (CID 54190034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).