N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine

C17H33NO2 — CID 65168171

IUPACN-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCCCOCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-3-5-12-19-13-11-18-15-14-16(20-4-2)17(15)9-7-6-8-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeyFALKCYMQMKNBGX-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds9

About N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65168171) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65168171
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCCCOCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-3-5-12-19-13-11-18-15-14-16(20-4-2)17(15)9-7-6-8-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeyFALKCYMQMKNBGX-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65168171) is N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCCCOCCNC1CC(OCC)C12CCCCC2.
What is the InChIKey of N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is FALKCYMQMKNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-12-19-13-11-18-15-14-16(20-4-2)17(15)9-7-6-8-10-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65168171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).