N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide

C11H21N3O — CID 104861552

IUPACN'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCC1CC(NCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C11H21N3O/c1-8-4-9(5-8)13-7-11(2-3-11)6-10(12)14-15/h8-9,13,15H,2-7H2,1H3,(H2,12,14)
InChIKeyLGTRDZIXIKJTPJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.29
Rot. Bonds5

About N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 104861552) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID104861552
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCC1CC(NCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C11H21N3O/c1-8-4-9(5-8)13-7-11(2-3-11)6-10(12)14-15/h8-9,13,15H,2-7H2,1H3,(H2,12,14)
InChIKeyLGTRDZIXIKJTPJ-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.29
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

2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070930
N'-hydroxy-2-[1-[[(4-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071817
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
2-[1-[(4-ethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070600
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
2-[1-[(but-3-yn-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104921685
N'-hydroxy-2-[1-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 79250305
2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070656
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071022

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide (CID 104861552) is N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide is CC1CC(NCC2(CC(N)=NO)CC2)C1.
What is the InChIKey of N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is LGTRDZIXIKJTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8-4-9(5-8)13-7-11(2-3-11)6-10(12)14-15/h8-9,13,15H,2-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 104861552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).