2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H21N3O — CID 77070554

IUPAC2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1cccc(C)c1NCC1(CC(N)=NO)CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)13(10)16-9-14(6-7-14)8-12(15)17-18/h3-5,16,18H,6-9H2,1-2H3,(H2,15,17)
InChIKeyZSYVXTSPEWGHLS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds5

About 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070554) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070554
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1cccc(C)c1NCC1(CC(N)=NO)CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)13(10)16-9-14(6-7-14)8-12(15)17-18/h3-5,16,18H,6-9H2,1-2H3,(H2,15,17)
InChIKeyZSYVXTSPEWGHLS-UHFFFAOYSA-N
XLogP2.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[1-[(3-iodoanilino)methyl]cyclopropyl]ethanimidamide
CID 77071007
2-[1-[(4-ethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070600
N'-hydroxy-2-[1-[(4-methylsulfanylanilino)methyl]cyclopropyl]ethanimidamide
CID 77071500
2-[1-[(3-bromo-5-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107584109
N'-hydroxy-2-[1-[(2,3,4-trifluoroanilino)methyl]cyclopropyl]ethanimidamide
CID 77071786
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071605
N'-hydroxy-2-[1-[[[(1S)-1-phenylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 79009132
N'-hydroxy-2-[1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070820
2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071796
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
N'-hydroxy-2-[1-[(3-methylphenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
CID 77070796
N'-hydroxy-2-[1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81408624

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070554) is 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is Cc1cccc(C)c1NCC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is ZSYVXTSPEWGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-11(2)13(10)16-9-14(6-7-14)8-12(15)17-18/h3-5,16,18H,6-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 247.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).