2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide

C9H22N4O — CID 77026359

IUPAC2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC)CCNC(C)C(N)=NO
InChIInChI=1S/C9H22N4O/c1-4-13(5-2)7-6-11-8(3)9(10)12-14/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyPUOTUONIMFMXJJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.05
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide

2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77026359) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77026359
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC)CCNC(C)C(N)=NO
InChIInChI=1S/C9H22N4O/c1-4-13(5-2)7-6-11-8(3)9(10)12-14/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyPUOTUONIMFMXJJ-UHFFFAOYSA-N
XLogP0.05
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.05
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-2-(octylamino)propanimidamide
CID 115568476
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide (CID 77026359) is 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide is CCN(CC)CCNC(C)C(N)=NO.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is PUOTUONIMFMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-4-13(5-2)7-6-11-8(3)9(10)12-14/h8,11,14H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide?
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 202.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77026359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).