N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide

C12H15N3O — CID 922383

IUPACN-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
SMILESCC(=NNC(=O)C1CC1)c1cccc(N)c1
InChIInChI=1S/C12H15N3O/c1-8(10-3-2-4-11(13)7-10)14-15-12(16)9-5-6-9/h2-4,7,9H,5-6,13H2,1H3,(H,15,16)
InChIKeyAKNTZESOFKUQDY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds3

About N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide

N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 922383) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID922383
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
SMILESCC(=NNC(=O)C1CC1)c1cccc(N)c1
InChIInChI=1S/C12H15N3O/c1-8(10-3-2-4-11(13)7-10)14-15-12(16)9-5-6-9/h2-4,7,9H,5-6,13H2,1H3,(H,15,16)
InChIKeyAKNTZESOFKUQDY-UHFFFAOYSA-N
XLogP1.52
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3580339

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide (CID 922383) is N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide is CC(=NNC(=O)C1CC1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is AKNTZESOFKUQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(10-3-2-4-11(13)7-10)14-15-12(16)9-5-6-9/h2-4,7,9H,5-6,13H2,1H3,(H,15,16).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide?
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 922383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).