N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide

C8H14F3N3O — CID 77071831

IUPACN'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC(F)(F)F)CC1)=NO
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)5-13-4-7(1-2-7)3-6(12)14-15/h13,15H,1-5H2,(H2,12,14)
InChIKeyIZPFMLQLHWIMCK-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.05
Rot. Bonds5

About N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071831) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77071831
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCC(F)(F)F)CC1)=NO
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)5-13-4-7(1-2-7)3-6(12)14-15/h13,15H,1-5H2,(H2,12,14)
InChIKeyIZPFMLQLHWIMCK-UHFFFAOYSA-N
XLogP1.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.05
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-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[(2,2,3-trimethylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 114100375
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818
N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
CID 169105569
N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 104874274
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide (CID 77071831) is N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCC(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is IZPFMLQLHWIMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)5-13-4-7(1-2-7)3-6(12)14-15/h13,15H,1-5H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 225.21 g/mol, XLogP of 1.05, 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-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).