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

C19H29NO2 — CID 12595610

IUPAC8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1(c2ccc(C(C)(C)C)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C19H29NO2/c1-17(2,3)15-5-7-16(8-6-15)18(20-4)9-11-19(12-10-18)21-13-14-22-19/h5-8,20H,9-14H2,1-4H3
InChIKeyWRYZQZAOUDCOFU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.72
Rot. Bonds2

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

8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595610) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595610
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1(c2ccc(C(C)(C)C)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C19H29NO2/c1-17(2,3)15-5-7-16(8-6-15)18(20-4)9-11-19(12-10-18)21-13-14-22-19/h5-8,20H,9-14H2,1-4H3
InChIKeyWRYZQZAOUDCOFU-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595610) is 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1(c2ccc(C(C)(C)C)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is WRYZQZAOUDCOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-17(2,3)15-5-7-16(8-6-15)18(20-4)9-11-19(12-10-18)21-13-14-22-19/h5-8,20H,9-14H2,1-4H3.
What are the key properties of 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 303.45 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylphenyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).