N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide

C11H21N3O2 — CID 76948274

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
SMILESNC(CCNC(=O)CC1CCCCC1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(14-16)6-7-13-11(15)8-9-4-2-1-3-5-9/h9,16H,1-8H2,(H2,12,14)(H,13,15)
InChIKeyPIYIFOMPPHTKCU-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.21
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide (PubChem CID 76948274) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
PubChem CID76948274
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
SMILESNC(CCNC(=O)CC1CCCCC1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(14-16)6-7-13-11(15)8-9-4-2-1-3-5-9/h9,16H,1-8H2,(H2,12,14)(H,13,15)
InChIKeyPIYIFOMPPHTKCU-UHFFFAOYSA-N
XLogP1.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
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)-2-cycloheptylacetamide
CID 104928892
N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
CID 76952873
N-(5-amino-5-hydroxyiminopentyl)-2-cyclopentylacetamide
CID 77036704
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide (CID 76948274) is N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide is NC(CCNC(=O)CC1CCCCC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide?
The InChIKey is PIYIFOMPPHTKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(14-16)6-7-13-11(15)8-9-4-2-1-3-5-9/h9,16H,1-8H2,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide has a molecular weight of 227.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide is sourced from PubChem (CID 76948274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).