(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

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

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Related Compounds

N-benzylspiro[2.5]octan-7-amine
CID 67386163
(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 169132478
benzene;N-benzylcyclohexanamine
CID 142622843
N-benzyloxepan-4-amine
CID 65076712
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
6-N-benzylspiro[2.5]octane-2,6-diamine
CID 130138432
N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 75453285
(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol
CID 162080146
2-bromo-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
CID 124737942
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130709610
N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine
CID 136574415
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999

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).