N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide

C12H21N3O2 — CID 83147861

IUPACN-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
SMILESCC(C(=O)N(CCC(N)=NO)C1CC1)C1CC1
InChIInChI=1S/C12H21N3O2/c1-8(9-2-3-9)12(16)15(10-4-5-10)7-6-11(13)14-17/h8-10,17H,2-7H2,1H3,(H2,13,14)
InChIKeyFTEBJXKEWSZAMY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.16
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide

N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide (PubChem CID 83147861) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
PubChem CID83147861
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
SMILESCC(C(=O)N(CCC(N)=NO)C1CC1)C1CC1
InChIInChI=1S/C12H21N3O2/c1-8(9-2-3-9)12(16)15(10-4-5-10)7-6-11(13)14-17/h8-10,17H,2-7H2,1H3,(H2,13,14)
InChIKeyFTEBJXKEWSZAMY-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
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-methylbutanamide
CID 76911754
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79162963
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
CID 83150108
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107182757
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide (CID 83147861) is N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide is CC(C(=O)N(CCC(N)=NO)C1CC1)C1CC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide?
The InChIKey is FTEBJXKEWSZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(9-2-3-9)12(16)15(10-4-5-10)7-6-11(13)14-17/h8-10,17H,2-7H2,1H3,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide?
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide has a molecular weight of 239.32 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,2-dicyclopropylpropanamide is sourced from PubChem (CID 83147861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).