3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide

C11H26N4O — CID 107912397

IUPAC3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC)CCN(CC)CCC(N)=NO
InChIInChI=1S/C11H26N4O/c1-4-14(5-2)9-10-15(6-3)8-7-11(12)13-16/h16H,4-10H2,1-3H3,(H2,12,13)
InChIKeyMPLGVSYCICRCEP-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.79
Rot. Bonds9

About 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide

3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 107912397) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
PubChem CID107912397
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC)CCN(CC)CCC(N)=NO
InChIInChI=1S/C11H26N4O/c1-4-14(5-2)9-10-15(6-3)8-7-11(12)13-16/h16H,4-10H2,1-3H3,(H2,12,13)
InChIKeyMPLGVSYCICRCEP-UHFFFAOYSA-N
XLogP0.79
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
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-[ethyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 76910513
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76954513
2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 76929176
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 55085218
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide (CID 107912397) is 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide is CCN(CC)CCN(CC)CCC(N)=NO.
What is the InChIKey of 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is MPLGVSYCICRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-4-14(5-2)9-10-15(6-3)8-7-11(12)13-16/h16H,4-10H2,1-3H3,(H2,12,13).
What are the key properties of 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide?
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 230.36 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 107912397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).