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

C13H25N3O — CID 77070818

IUPACN'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCC1(NCC2(CC(N)=NO)CC2)CCCCC1
InChIInChI=1S/C13H25N3O/c1-12(5-3-2-4-6-12)15-10-13(7-8-13)9-11(14)16-17/h15,17H,2-10H2,1H3,(H2,14,16)
InChIKeyJBHLRKFNRAAYNL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.22
Rot. Bonds5

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

N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77070818) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID77070818
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCC1(NCC2(CC(N)=NO)CC2)CCCCC1
InChIInChI=1S/C13H25N3O/c1-12(5-3-2-4-6-12)15-10-13(7-8-13)9-11(14)16-17/h15,17H,2-10H2,1H3,(H2,14,16)
InChIKeyJBHLRKFNRAAYNL-UHFFFAOYSA-N
XLogP2.22
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.22
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'}

Analyze N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide with MolForge

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Related Compounds

2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-5-[(1-methylcyclopentyl)amino]pentanimidamide
CID 77030789
3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
CID 77051955
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 82943580
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 115440047
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 113410658

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide (CID 77070818) is N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide is CC1(NCC2(CC(N)=NO)CC2)CCCCC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is JBHLRKFNRAAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(5-3-2-4-6-12)15-10-13(7-8-13)9-11(14)16-17/h15,17H,2-10H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.22, 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-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).