(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine

C15H21NO2 — CID 70952466

IUPAC(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
SMILESc1ccc(CN[C@@H]2CCCC3(C2)OCCO3)cc1
InChIInChI=1S/C15H21NO2/c1-2-5-13(6-3-1)12-16-14-7-4-8-15(11-14)17-9-10-18-15/h1-3,5-6,14,16H,4,7-12H2/t14-/m1/s1
InChIKeySUSRJZQRFZHJRB-CQSZACIVSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds3

About (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine

(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine (PubChem CID 70952466) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine.

Molecular Properties

Compound Name(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
PubChem CID70952466
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
SMILESc1ccc(CN[C@@H]2CCCC3(C2)OCCO3)cc1
InChIInChI=1S/C15H21NO2/c1-2-5-13(6-3-1)12-16-14-7-4-8-15(11-14)17-9-10-18-15/h1-3,5-6,14,16H,4,7-12H2/t14-/m1/s1
InChIKeySUSRJZQRFZHJRB-CQSZACIVSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine?
The IUPAC name of (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine (CID 70952466) is (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine.
What is the SMILES notation for (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine?
The canonical SMILES for (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine is c1ccc(CN[C@@H]2CCCC3(C2)OCCO3)cc1.
What is the InChIKey of (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine?
The InChIKey is SUSRJZQRFZHJRB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-5-13(6-3-1)12-16-14-7-4-8-15(11-14)17-9-10-18-15/h1-3,5-6,14,16H,4,7-12H2/t14-/m1/s1.
What are the key properties of (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine?
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine has a molecular weight of 247.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine is sourced from PubChem (CID 70952466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).