N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide

C12H17N3 — CID 61361506

IUPACN-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
SMILESCCc1ccc(/C(=N/C2CC2)NN)cc1
InChIInChI=1S/C12H17N3/c1-2-9-3-5-10(6-4-9)12(15-13)14-11-7-8-11/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyUPAVXSGRBPJVPV-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.62
Rot. Bonds3

About N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide

N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide (PubChem CID 61361506) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
PubChem CID61361506
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
SMILESCCc1ccc(/C(=N/C2CC2)NN)cc1
InChIInChI=1S/C12H17N3/c1-2-9-3-5-10(6-4-9)12(15-13)14-11-7-8-11/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyUPAVXSGRBPJVPV-UHFFFAOYSA-N
XLogP1.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.62
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-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61362919
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide
CID 62199049
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117
4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide
CID 121428385
N-amino-N'-cyclopropyl-5-iodothiophene-3-carboximidamide
CID 79684328
N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide
CID 136710814
N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
CID 61360532
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide
CID 61363513
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide (CID 61361506) is N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide is CCc1ccc(/C(=N/C2CC2)NN)cc1.
What is the InChIKey of N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide?
The InChIKey is UPAVXSGRBPJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-9-3-5-10(6-4-9)12(15-13)14-11-7-8-11/h3-6,11H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide?
N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide has a molecular weight of 203.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide is sourced from PubChem (CID 61361506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).