2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O — CID 103369349

IUPAC2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCC(C)N(CC1CC1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-7(2)17(5-8-3-4-8)6-9(10(15)16-18)11(12,13)14/h7-9,18H,3-6H2,1-2H3,(H2,15,16)
InChIKeyRKLSMEYZCGHBBK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.03
Rot. Bonds6

About 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369349) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369349
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCC(C)N(CC1CC1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-7(2)17(5-8-3-4-8)6-9(10(15)16-18)11(12,13)14/h7-9,18H,3-6H2,1-2H3,(H2,15,16)
InChIKeyRKLSMEYZCGHBBK-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011238
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 55011239
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011240
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011288
N'-hydroxy-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011289
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60890993
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 61604479
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61604480
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206084
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206085
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206086

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369349) is 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CC(C)N(CC1CC1)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is RKLSMEYZCGHBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-7(2)17(5-8-3-4-8)6-9(10(15)16-18)11(12,13)14/h7-9,18H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).