ethyl 2-(cyclohexylamino)nonanoate

C17H33NO2 — CID 63524115

IUPACethyl 2-(cyclohexylamino)nonanoate
SMILESCCCCCCCC(NC1CCCCC1)C(=O)OCC
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-11-14-16(17(19)20-4-2)18-15-12-9-8-10-13-15/h15-16,18H,3-14H2,1-2H3
InChIKeyKXTWHYKJCQUILM-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.20
Rot. Bonds10

About ethyl 2-(cyclohexylamino)nonanoate

ethyl 2-(cyclohexylamino)nonanoate (PubChem CID 63524115) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethyl 2-(cyclohexylamino)nonanoate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylamino)nonanoate
PubChem CID63524115
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethyl 2-(cyclohexylamino)nonanoate
SMILESCCCCCCCC(NC1CCCCC1)C(=O)OCC
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-11-14-16(17(19)20-4-2)18-15-12-9-8-10-13-15/h15-16,18H,3-14H2,1-2H3
InChIKeyKXTWHYKJCQUILM-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopentylamino)nonanoate
CID 54894298
2-(cyclohexylamino)octanamide
CID 54893908
2-(cyclohexylamino)heptanoic acid
CID 60998800
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
2-(cyclopropylamino)heptanoic acid
CID 43754511
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
2-(cyclohexylcarbamoylamino)undecanamide
CID 69488334
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 3-(cyclohexylamino)-3-fluoro-2-methylpropanoate
CID 174680585
N-nonan-2-ylcyclohexanamine
CID 43129679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylamino)nonanoate?
The IUPAC name of ethyl 2-(cyclohexylamino)nonanoate (CID 63524115) is ethyl 2-(cyclohexylamino)nonanoate.
What is the SMILES notation for ethyl 2-(cyclohexylamino)nonanoate?
The canonical SMILES for ethyl 2-(cyclohexylamino)nonanoate is CCCCCCCC(NC1CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclohexylamino)nonanoate?
The InChIKey is KXTWHYKJCQUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-6-7-11-14-16(17(19)20-4-2)18-15-12-9-8-10-13-15/h15-16,18H,3-14H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexylamino)nonanoate?
ethyl 2-(cyclohexylamino)nonanoate has a molecular weight of 283.46 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylamino)nonanoate is sourced from PubChem (CID 63524115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).