3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine

C18H27NO2 — CID 66358588

IUPAC3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
SMILESNC1CC(OCCOc2ccccc2)C12CCCCCC2
InChIInChI=1S/C18H27NO2/c19-16-14-17(18(16)10-6-1-2-7-11-18)21-13-12-20-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14,19H2
InChIKeyMNAWHYZWOPCNPN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.52
Rot. Bonds5

About 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine

3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine (PubChem CID 66358588) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
PubChem CID66358588
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
SMILESNC1CC(OCCOc2ccccc2)C12CCCCCC2
InChIInChI=1S/C18H27NO2/c19-16-14-17(18(16)10-6-1-2-7-11-18)21-13-12-20-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14,19H2
InChIKeyMNAWHYZWOPCNPN-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
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 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine?
The IUPAC name of 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine (CID 66358588) is 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine is NC1CC(OCCOc2ccccc2)C12CCCCCC2.
What is the InChIKey of 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine?
The InChIKey is MNAWHYZWOPCNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-16-14-17(18(16)10-6-1-2-7-11-18)21-13-12-20-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14,19H2.
What are the key properties of 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine?
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66358588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).