N-(cyclohexylideneamino)-3-methoxypropanamide

C10H18N2O2 — CID 123501160

IUPACN-(cyclohexylideneamino)-3-methoxypropanamide
SMILESCOCCC(=O)NN=C1CCCCC1
InChIInChI=1S/C10H18N2O2/c1-14-8-7-10(13)12-11-9-5-3-2-4-6-9/h2-8H2,1H3,(H,12,13)
InChIKeyZYGNUHMURGJUOF-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.46
Rot. Bonds4

About N-(cyclohexylideneamino)-3-methoxypropanamide

N-(cyclohexylideneamino)-3-methoxypropanamide (PubChem CID 123501160) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-3-methoxypropanamide
PubChem CID123501160
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(cyclohexylideneamino)-3-methoxypropanamide
SMILESCOCCC(=O)NN=C1CCCCC1
InChIInChI=1S/C10H18N2O2/c1-14-8-7-10(13)12-11-9-5-3-2-4-6-9/h2-8H2,1H3,(H,12,13)
InChIKeyZYGNUHMURGJUOF-UHFFFAOYSA-N
XLogP1.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(cyclohexylideneamino)heptanediamide
CID 4048049
N-(cycloheptylideneamino)pentanamide
CID 3533607
N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
CID 126125374
N-(cyclopentylideneamino)-3-methylbutanamide
CID 5165993
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide
CID 6945486
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
N-(cyclohexylideneamino)-2-pyridin-1-ium-1-ylacetamide
CID 146021718
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
CID 913662
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-3-methoxypropanamide?
The IUPAC name of N-(cyclohexylideneamino)-3-methoxypropanamide (CID 123501160) is N-(cyclohexylideneamino)-3-methoxypropanamide.
What is the SMILES notation for N-(cyclohexylideneamino)-3-methoxypropanamide?
The canonical SMILES for N-(cyclohexylideneamino)-3-methoxypropanamide is COCCC(=O)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-3-methoxypropanamide?
The InChIKey is ZYGNUHMURGJUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-8-7-10(13)12-11-9-5-3-2-4-6-9/h2-8H2,1H3,(H,12,13).
What are the key properties of N-(cyclohexylideneamino)-3-methoxypropanamide?
N-(cyclohexylideneamino)-3-methoxypropanamide has a molecular weight of 198.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-3-methoxypropanamide is sourced from PubChem (CID 123501160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).