N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide

C11H19N3OS — CID 77031255

IUPACN'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
SMILESCCC(NCC(C)C(N)=NO)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-3-9(10-5-4-6-16-10)13-7-8(2)11(12)14-15/h4-6,8-9,13,15H,3,7H2,1-2H3,(H2,12,14)
InChIKeyXWXUTUXVFIJJHV-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.17
Rot. Bonds6

About N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide

N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide (PubChem CID 77031255) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
PubChem CID77031255
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
SMILESCCC(NCC(C)C(N)=NO)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-3-9(10-5-4-6-16-10)13-7-8(2)11(12)14-15/h4-6,8-9,13,15H,3,7H2,1-2H3,(H2,12,14)
InChIKeyXWXUTUXVFIJJHV-UHFFFAOYSA-N
XLogP2.17
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.17
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

N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol
CID 54964721
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide (CID 77031255) is N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide is CCC(NCC(C)C(N)=NO)c1cccs1.
What is the InChIKey of N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide?
The InChIKey is XWXUTUXVFIJJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9(10-5-4-6-16-10)13-7-8(2)11(12)14-15/h4-6,8-9,13,15H,3,7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide has a molecular weight of 241.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide is sourced from PubChem (CID 77031255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).