N-amino-3-ethyl-N'-methylbenzenecarboximidamide

C10H15N3 — CID 142873942

IUPACN-amino-3-ethyl-N'-methylbenzenecarboximidamide
SMILESCCc1cccc(/C(=N/C)NN)c1
InChIInChI=1S/C10H15N3/c1-3-8-5-4-6-9(7-8)10(12-2)13-11/h4-7H,3,11H2,1-2H3,(H,12,13)
InChIKeyCVMCJLXLTBLLRU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.09
Rot. Bonds2

About N-amino-3-ethyl-N'-methylbenzenecarboximidamide

N-amino-3-ethyl-N'-methylbenzenecarboximidamide (PubChem CID 142873942) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-amino-3-ethyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-ethyl-N'-methylbenzenecarboximidamide
PubChem CID142873942
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-amino-3-ethyl-N'-methylbenzenecarboximidamide
SMILESCCc1cccc(/C(=N/C)NN)c1
InChIInChI=1S/C10H15N3/c1-3-8-5-4-6-9(7-8)10(12-2)13-11/h4-7H,3,11H2,1-2H3,(H,12,13)
InChIKeyCVMCJLXLTBLLRU-UHFFFAOYSA-N
XLogP1.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.09
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-3-(dimethylamino)-N'-methylbenzenecarboximidamide
CID 61362479
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
3-ethyl-N-methylbenzamide
CID 59115297
3-ethylbenzoic acid;propane
CID 177324794
N-[amino-(3-ethylphenyl)methylidene]acetamide
CID 91027173
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine
CID 142246468
N-ethyl-3-hydroxy-N'-methylbenzenecarboximidamide
CID 131994303
N-amino-N'-ethyl-3-methoxybenzenecarboximidamide
CID 61362080

Frequently Asked Questions

What is the IUPAC name of N-amino-3-ethyl-N'-methylbenzenecarboximidamide?
The IUPAC name of N-amino-3-ethyl-N'-methylbenzenecarboximidamide (CID 142873942) is N-amino-3-ethyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-3-ethyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-3-ethyl-N'-methylbenzenecarboximidamide is CCc1cccc(/C(=N/C)NN)c1.
What is the InChIKey of N-amino-3-ethyl-N'-methylbenzenecarboximidamide?
The InChIKey is CVMCJLXLTBLLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-8-5-4-6-9(7-8)10(12-2)13-11/h4-7H,3,11H2,1-2H3,(H,12,13).
What are the key properties of N-amino-3-ethyl-N'-methylbenzenecarboximidamide?
N-amino-3-ethyl-N'-methylbenzenecarboximidamide has a molecular weight of 177.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-ethyl-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 142873942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).