N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide

C12H17N3O — CID 61361299

IUPACN-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide
SMILESCOc1cc(/C(=N/C2CC2)NN)ccc1C
InChIInChI=1S/C12H17N3O/c1-8-3-4-9(7-11(8)16-2)12(15-13)14-10-5-6-10/h3-4,7,10H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyOGFGYXLPJOYNHH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.38
Rot. Bonds3

About N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide

N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide (PubChem CID 61361299) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide
PubChem CID61361299
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide
SMILESCOc1cc(/C(=N/C2CC2)NN)ccc1C
InChIInChI=1S/C12H17N3O/c1-8-3-4-9(7-11(8)16-2)12(15-13)14-10-5-6-10/h3-4,7,10H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyOGFGYXLPJOYNHH-UHFFFAOYSA-N
XLogP1.38
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-cyclohexyl-4-fluoro-3-methoxybenzenecarboximidamide
CID 81284145
N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
CID 61361506
N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide
CID 61363513
amino 3-methoxy-4-methylbenzoate
CID 175307316
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61362919
N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
CID 63742348
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
1-(3-methoxy-4-methylphenyl)-N-methylethenamine
CID 143056515
N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
CID 79996593

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide (CID 61361299) is N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide is COc1cc(/C(=N/C2CC2)NN)ccc1C.
What is the InChIKey of N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide?
The InChIKey is OGFGYXLPJOYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-4-9(7-11(8)16-2)12(15-13)14-10-5-6-10/h3-4,7,10H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide?
N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 61361299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).