3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide

C11H24N4O2 — CID 114134867

IUPAC3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
SMILESCCCN(CC)CCNC(=O)C(C)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-4-7-15(5-2)8-6-13-11(16)9(3)10(12)14-17/h9,17H,4-8H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyVIWYTGGYCUVSEM-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.22
Rot. Bonds8

About 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide

3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide (PubChem CID 114134867) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
PubChem CID114134867
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
SMILESCCCN(CC)CCNC(=O)C(C)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-4-7-15(5-2)8-6-13-11(16)9(3)10(12)14-17/h9,17H,4-8H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyVIWYTGGYCUVSEM-UHFFFAOYSA-N
XLogP0.22
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
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-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
CID 106240183
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926351
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
CID 104917991
4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
CID 114134040
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 55097504
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide (CID 114134867) is 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide is CCCN(CC)CCNC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
The InChIKey is VIWYTGGYCUVSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-4-7-15(5-2)8-6-13-11(16)9(3)10(12)14-17/h9,17H,4-8H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide?
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 114134867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).