2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C19H27NO — CID 102899030

IUPAC2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C19H27NO/c20-18-15(12-14-6-2-3-7-17(14)18)13-16-8-11-19(21-16)9-4-1-5-10-19/h2-3,6-7,15-16,18H,1,4-5,8-13,20H2
InChIKeyQSDYEFAFAZYPSH-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.13
Rot. Bonds2

About 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 102899030) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID102899030
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C19H27NO/c20-18-15(12-14-6-2-3-7-17(14)18)13-16-8-11-19(21-16)9-4-1-5-10-19/h2-3,6-7,15-16,18H,1,4-5,8-13,20H2
InChIKeyQSDYEFAFAZYPSH-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 102899030) is 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QSDYEFAFAZYPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-18-15(12-14-6-2-3-7-17(14)18)13-16-8-11-19(21-16)9-4-1-5-10-19/h2-3,6-7,15-16,18H,1,4-5,8-13,20H2.
What are the key properties of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102899030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).