3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide

C12H27N3O — CID 107815448

IUPAC3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCC(CC)CNCC(C)C(N)=NO
InChIInChI=1S/C12H27N3O/c1-4-6-7-11(5-2)9-14-8-10(3)12(13)15-16/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyCGESJQIZXADVTE-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.17
Rot. Bonds9

About 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide

3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 107815448) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID107815448
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCC(CC)CNCC(C)C(N)=NO
InChIInChI=1S/C12H27N3O/c1-4-6-7-11(5-2)9-14-8-10(3)12(13)15-16/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyCGESJQIZXADVTE-UHFFFAOYSA-N
XLogP2.17
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77030830
N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 107817673
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
N,2-diethylhexan-1-amine
CID 14272988
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide (CID 107815448) is 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide is CCCCC(CC)CNCC(C)C(N)=NO.
What is the InChIKey of 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is CGESJQIZXADVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-6-7-11(5-2)9-14-8-10(3)12(13)15-16/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 107815448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).