(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide

C9H19N3O2 — CID 43571543

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(C)C(=O)C/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-4-7(5-2)12(3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyBIAMMYFNPDLEOE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide (PubChem CID 43571543) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide
PubChem CID43571543
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(C)C(=O)C/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-4-7(5-2)12(3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyBIAMMYFNPDLEOE-UHFFFAOYSA-N
XLogP0.77
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,3,3-trifluoro-N-propan-2-ylpropanamide
CID 54996282
(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55207095
3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 76175085
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-propan-2-ylpropanamide
CID 76205429
3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 76912638
3-amino-3-hydroxyimino-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 76923948
N-(4-amino-4-hydroxyiminobutan-2-yl)-3,3,3-trifluoro-N-methylpropanamide
CID 76987478
N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-propan-2-ylbutanamide
CID 77099495
N-(4-amino-4-hydroxyiminobutan-2-yl)-4,4,4-trifluoro-N-methylbutanamide
CID 77099578
(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide
CID 15290119
(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide
CID 43155944
(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-methylpropanamide
CID 43263695

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide (CID 43571543) is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide is CCC(CC)N(C)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide?
The InChIKey is BIAMMYFNPDLEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-7(5-2)12(3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43571543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).