N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide

C12H23N3O2 — CID 104982302

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)8-12(16)15(10-4-5-10)7-6-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyNNLDITXYLIJQHZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide (PubChem CID 104982302) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
PubChem CID104982302
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)8-12(16)15(10-4-5-10)7-6-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyNNLDITXYLIJQHZ-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.55
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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide 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-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
CID 114876819
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
CID 61443811
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
CID 76910488
N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 76911867
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79162963
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide (CID 104982302) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide is CCC(C)CC(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide?
The InChIKey is NNLDITXYLIJQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(2)8-12(16)15(10-4-5-10)7-6-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide is sourced from PubChem (CID 104982302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).