3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

C9H21N3O2 — CID 60979982

IUPAC3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC)CCO
InChIInChI=1S/C9H21N3O2/c1-3-8(7-9(10)11-14)12(4-2)5-6-13/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyCXKWOBPTCPROFG-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.22
Rot. Bonds7

About 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 60979982) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID60979982
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC)CCO
InChIInChI=1S/C9H21N3O2/c1-3-8(7-9(10)11-14)12(4-2)5-6-13/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyCXKWOBPTCPROFG-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.22
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

3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480137
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480153
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480164
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480178
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480259
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480287
N'-hydroxy-3-morpholin-4-ylpentanimidamide
CID 43174972
N'-hydroxy-3-(3-methylmorpholin-4-yl)pentanimidamide
CID 43542175
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592116

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 60979982) is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(CC)CCO.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is CXKWOBPTCPROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-8(7-9(10)11-14)12(4-2)5-6-13/h8,13-14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 60979982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).