N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine

C18H27NO — CID 104591426

IUPACN-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(CNC1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-15(16-7-3-2-4-8-16)14-19-17-9-12-20-18(13-17)10-5-6-11-18/h2-4,7-8,15,17,19H,5-6,9-14H2,1H3
InChIKeyJEWJVVOUKAQDPQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.87
Rot. Bonds4

About N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine

N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 104591426) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID104591426
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(CNC1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-15(16-7-3-2-4-8-16)14-19-17-9-12-20-18(13-17)10-5-6-11-18/h2-4,7-8,15,17,19H,5-6,9-14H2,1H3
InChIKeyJEWJVVOUKAQDPQ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine (CID 104591426) is N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine is CC(CNC1CCOC2(CCCC2)C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is JEWJVVOUKAQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15(16-7-3-2-4-8-16)14-19-17-9-12-20-18(13-17)10-5-6-11-18/h2-4,7-8,15,17,19H,5-6,9-14H2,1H3.
What are the key properties of N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 273.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 104591426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).