(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide

C10H19N3O2 — CID 43371707

IUPAC(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NCC1CCCCC1)=N\O
InChIInChI=1S/C10H19N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h8,15H,1-7H2,(H2,11,13)(H,12,14)
InChIKeyWFHIBCGNQOJOKV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds4

About (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide (PubChem CID 43371707) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
PubChem CID43371707
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NCC1CCCCC1)=N\O
InChIInChI=1S/C10H19N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h8,15H,1-7H2,(H2,11,13)(H,12,14)
InChIKeyWFHIBCGNQOJOKV-UHFFFAOYSA-N
XLogP0.82
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
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

3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
CID 43156049
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
CID 104928892
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
CID 76952873
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide (CID 43371707) is (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide is N/C(CC(=O)NCC1CCCCC1)=N\O.
What is the InChIKey of (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide?
The InChIKey is WFHIBCGNQOJOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h8,15H,1-7H2,(H2,11,13)(H,12,14).
What are the key properties of (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide has a molecular weight of 213.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43371707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).