3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide

C11H20F3N3O — CID 103370840

IUPAC3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-17(7-10(18)4-2-3-5-10)6-8(9(15)16)11(12,13)14/h8,18H,2-7H2,1H3,(H3,15,16)
InChIKeyXWWZUJSIIJOTGA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.34
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide

3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide (PubChem CID 103370840) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
PubChem CID103370840
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-17(7-10(18)4-2-3-5-10)6-8(9(15)16)11(12,13)14/h8,18H,2-7H2,1H3,(H3,15,16)
InChIKeyXWWZUJSIIJOTGA-UHFFFAOYSA-N
XLogP1.34
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.34
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'}

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Related Compounds

1-[[[2-(Aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]cyclopentan-1-ol
CID 103366483
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 103369904
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370240
3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370832
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanimidamide
CID 104985387
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 104985388
2-[(1-Hydroxycyclopentyl)methyl-methylamino]ethanimidamide
CID 114949775
3-[(1-Hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 114949776
3-[(1-Hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 114949780
5-[(1-Hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 114949782
4-[(1-Hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 114949784
3-[(1-Hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 114949793

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide (CID 103370840) is 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
The InChIKey is XWWZUJSIIJOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-17(7-10(18)4-2-3-5-10)6-8(9(15)16)11(12,13)14/h8,18H,2-7H2,1H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide has a molecular weight of 267.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide is sourced from PubChem (CID 103370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).