2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C13H27F3N4O — CID 103369536

IUPAC2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC)CCCC(C)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C13H27F3N4O/c1-4-20(5-2)8-6-7-10(3)18-9-11(12(17)19-21)13(14,15)16/h10-11,18,21H,4-9H2,1-3H3,(H2,17,19)
InChIKeyWHPMMAMXGSBVFU-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.01
Rot. Bonds10

About 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369536) has the molecular formula C13H27F3N4O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369536
Molecular FormulaC13H27F3N4O
Molecular Weight312.38 g/mol
Exact Mass312.21
IUPAC Name2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC)CCCC(C)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C13H27F3N4O/c1-4-20(5-2)8-6-7-10(3)18-9-11(12(17)19-21)13(14,15)16/h10-11,18,21H,4-9H2,1-3H3,(H2,17,19)
InChIKeyWHPMMAMXGSBVFU-UHFFFAOYSA-N
XLogP2.01
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
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-3-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65538245
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65538439
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76206084
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206086
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206091
N'-hydroxy-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 76206092
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypentanimidamide
CID 76912528

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369536) is 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(CC)CCCC(C)NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is WHPMMAMXGSBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N4O/c1-4-20(5-2)8-6-7-10(3)18-9-11(12(17)19-21)13(14,15)16/h10-11,18,21H,4-9H2,1-3H3,(H2,17,19).
What are the key properties of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 312.38 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylamino)pentan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).