3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide

C9H19N3O2 — CID 76925594

IUPAC3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-3-4-5-6-11-9(13)7(2)8(10)12-14/h7,14H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyBACQTDXURLJCLV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.68
Rot. Bonds6

About 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide

3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide (PubChem CID 76925594) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
PubChem CID76925594
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-3-4-5-6-11-9(13)7(2)8(10)12-14/h7,14H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyBACQTDXURLJCLV-UHFFFAOYSA-N
XLogP0.68
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
CID 106240183
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
CID 106021394
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
3-methyl-N-pentyl-2-sulfanylbutanamide
CID 107020320
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
N-(5-amino-5-oxopentyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 106240194
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide (CID 76925594) is 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide is CCCCCNC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide?
The InChIKey is BACQTDXURLJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-4-5-6-11-9(13)7(2)8(10)12-14/h7,14H,3-6H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide?
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide is sourced from PubChem (CID 76925594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).