3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide

C14H26F3N3O — CID 103369991

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide
SMILESCC(C)CC1(CNCC(C(N)=NO)C(F)(F)F)CCCC1
InChIInChI=1S/C14H26F3N3O/c1-10(2)7-13(5-3-4-6-13)9-19-8-11(12(18)20-21)14(15,16)17/h10-11,19,21H,3-9H2,1-2H3,(H2,18,20)
InChIKeyHNIVWFUQWFXQPW-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.11
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide (PubChem CID 103369991) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide
PubChem CID103369991
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide
SMILESCC(C)CC1(CNCC(C(N)=NO)C(F)(F)F)CCCC1
InChIInChI=1S/C14H26F3N3O/c1-10(2)7-13(5-3-4-6-13)9-19-8-11(12(18)20-21)14(15,16)17/h10-11,19,21H,3-9H2,1-2H3,(H2,18,20)
InChIKeyHNIVWFUQWFXQPW-UHFFFAOYSA-N
XLogP3.11
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.11
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

3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
CID 103367397
3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpentylamino)methyl]propanimidamide
CID 103369753
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101863
3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
CID 103369564
1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 80599385
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylprop-2-enylamino)methyl]propanimidamide
CID 103370232
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281374
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369461
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-3-methoxypropyl)amino]methyl]propanimidamide
CID 103369872
2-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370014

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide (CID 103369991) is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide is CC(C)CC1(CNCC(C(N)=NO)C(F)(F)F)CCCC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide?
The InChIKey is HNIVWFUQWFXQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-10(2)7-13(5-3-4-6-13)9-19-8-11(12(18)20-21)14(15,16)17/h10-11,19,21H,3-9H2,1-2H3,(H2,18,20).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide has a molecular weight of 309.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide is sourced from PubChem (CID 103369991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).