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

C12H23N3O2 — CID 104928892

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
SMILESNC(CCNC(=O)CC1CCCCCC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-17)7-8-14-12(16)9-10-5-3-1-2-4-6-10/h10,17H,1-9H2,(H2,13,15)(H,14,16)
InChIKeyTWAVBLFZOYPHKN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

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

N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide (PubChem CID 104928892) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
PubChem CID104928892
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
SMILESNC(CCNC(=O)CC1CCCCCC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-17)7-8-14-12(16)9-10-5-3-1-2-4-6-10/h10,17H,1-9H2,(H2,13,15)(H,14,16)
InChIKeyTWAVBLFZOYPHKN-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide 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)-2-cyclohexylacetamide
CID 76948274
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-cycloheptylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide (CID 104928892) is N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide is NC(CCNC(=O)CC1CCCCCC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide?
The InChIKey is TWAVBLFZOYPHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(15-17)7-8-14-12(16)9-10-5-3-1-2-4-6-10/h10,17H,1-9H2,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 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-cycloheptylacetamide is sourced from PubChem (CID 104928892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).