2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide

C9H21N3OS — CID 104863487

IUPAC2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide
SMILESCCSCCCN(CC)CC(N)=NO
InChIInChI=1S/C9H21N3OS/c1-3-12(8-9(10)11-13)6-5-7-14-4-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyKVOZUPQKTNBIPB-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds8

About 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide (PubChem CID 104863487) has the molecular formula C9H21N3OS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide
PubChem CID104863487
Molecular FormulaC9H21N3OS
Molecular Weight219.35 g/mol
Exact Mass219.14
IUPAC Name2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide
SMILESCCSCCCN(CC)CC(N)=NO
InChIInChI=1S/C9H21N3OS/c1-3-12(8-9(10)11-13)6-5-7-14-4-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyKVOZUPQKTNBIPB-UHFFFAOYSA-N
XLogP1.20
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 76929176
2-(dibutylamino)-N'-hydroxyethanimidamide
CID 74859795
3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104863498
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide
CID 72653227
N,N-diethyl-5-ethylsulfanylpentan-1-amine
CID 154243338
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104863480
2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
CID 107425399
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
CID 154220966
2-[butyl-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]amino]-N'-hydroxyethanimidamide
CID 123281936

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide (CID 104863487) is 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide is CCSCCCN(CC)CC(N)=NO.
What is the InChIKey of 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is KVOZUPQKTNBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3OS/c1-3-12(8-9(10)11-13)6-5-7-14-4-2/h13H,3-8H2,1-2H3,(H2,10,11).
What are the key properties of 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 219.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104863487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).