8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C20H31NO2 — CID 12595636

IUPAC8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccc(C(C)(C)C)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C20H31NO2/c1-18(2,3)16-6-8-17(9-7-16)19(21(4)5)10-12-20(13-11-19)22-14-15-23-20/h6-9H,10-15H2,1-5H3
InChIKeyUARXLHMVTONYAJ-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.06
Rot. Bonds2

About 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595636) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595636
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccc(C(C)(C)C)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C20H31NO2/c1-18(2,3)16-6-8-17(9-7-16)19(21(4)5)10-12-20(13-11-19)22-14-15-23-20/h6-9H,10-15H2,1-5H3
InChIKeyUARXLHMVTONYAJ-UHFFFAOYSA-N
XLogP4.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595636) is 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(c2ccc(C(C)(C)C)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UARXLHMVTONYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-18(2,3)16-6-8-17(9-7-16)19(21(4)5)10-12-20(13-11-19)22-14-15-23-20/h6-9H,10-15H2,1-5H3.
What are the key properties of 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 317.47 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).