3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide

C13H30N4O — CID 102993668

IUPAC3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)CCCN(CC)CC(C)C(N)=NO
InChIInChI=1S/C13H30N4O/c1-5-16(6-2)9-8-10-17(7-3)11-12(4)13(14)15-18/h12,18H,5-11H2,1-4H3,(H2,14,15)
InChIKeyFKBJCSKWUZKBJA-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.42
Rot. Bonds10

About 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 102993668) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID102993668
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)CCCN(CC)CC(C)C(N)=NO
InChIInChI=1S/C13H30N4O/c1-5-16(6-2)9-8-10-17(7-3)11-12(4)13(14)15-18/h12,18H,5-11H2,1-4H3,(H2,14,15)
InChIKeyFKBJCSKWUZKBJA-UHFFFAOYSA-N
XLogP1.42
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.42
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-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910360
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
3-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77073419
3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 82897981
3-[butyl(ethyl)amino]-2-methylpropanethioamide
CID 43367696
3-[(4-tert-butylphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910333
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 102993668) is 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC)CCCN(CC)CC(C)C(N)=NO.
What is the InChIKey of 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FKBJCSKWUZKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-5-16(6-2)9-8-10-17(7-3)11-12(4)13(14)15-18/h12,18H,5-11H2,1-4H3,(H2,14,15).
What are the key properties of 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 258.41 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 102993668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).