N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide

C10H19N3O2 — CID 76910488

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
SMILESCCN(CCC(N)=NO)C(=O)CC1CC1
InChIInChI=1S/C10H19N3O2/c1-2-13(6-5-9(11)12-15)10(14)7-8-3-4-8/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyJRCPWQIEURJVCB-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.77
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide (PubChem CID 76910488) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
PubChem CID76910488
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
SMILESCCN(CCC(N)=NO)C(=O)CC1CC1
InChIInChI=1S/C10H19N3O2/c1-2-13(6-5-9(11)12-15)10(14)7-8-3-4-8/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyJRCPWQIEURJVCB-UHFFFAOYSA-N
XLogP0.77
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
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-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
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N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide
CID 76910496
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894024
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide (CID 76910488) is N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide is CCN(CCC(N)=NO)C(=O)CC1CC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide?
The InChIKey is JRCPWQIEURJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-13(6-5-9(11)12-15)10(14)7-8-3-4-8/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide has a molecular weight of 213.28 g/mol, XLogP of 0.77, 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)-2-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 76910488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).