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

C11H21N3O2 — CID 76911754

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)7-11(15)14(9-3-4-9)6-5-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyGGTGDYDAUHNQQY-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds6

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

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide (PubChem CID 76911754) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
PubChem CID76911754
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)7-11(15)14(9-3-4-9)6-5-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyGGTGDYDAUHNQQY-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
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-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
CID 82103905
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
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
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
CID 76937461
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107182757

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide (CID 76911754) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide is CC(C)CC(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide?
The InChIKey is GGTGDYDAUHNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)7-11(15)14(9-3-4-9)6-5-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 6 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-methylbutanamide is sourced from PubChem (CID 76911754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).