1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine

C16H21NO2 — CID 143769068

IUPAC1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
SMILESC=CCC1Cc2c(ccc(N)c2C)CC12OCCO2
InChIInChI=1S/C16H21NO2/c1-3-4-13-9-14-11(2)15(17)6-5-12(14)10-16(13)18-7-8-19-16/h3,5-6,13H,1,4,7-10,17H2,2H3
InChIKeyNTHKJMCTIHPLNM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds2

About 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine

1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine (PubChem CID 143769068) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine.

Molecular Properties

Compound Name1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
PubChem CID143769068
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
SMILESC=CCC1Cc2c(ccc(N)c2C)CC12OCCO2
InChIInChI=1S/C16H21NO2/c1-3-4-13-9-14-11(2)15(17)6-5-12(14)10-16(13)18-7-8-19-16/h3,5-6,13H,1,4,7-10,17H2,2H3
InChIKeyNTHKJMCTIHPLNM-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The IUPAC name of 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine (CID 143769068) is 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine.
What is the SMILES notation for 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The canonical SMILES for 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine is C=CCC1Cc2c(ccc(N)c2C)CC12OCCO2.
What is the InChIKey of 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The InChIKey is NTHKJMCTIHPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-4-13-9-14-11(2)15(17)6-5-12(14)10-16(13)18-7-8-19-16/h3,5-6,13H,1,4,7-10,17H2,2H3.
What are the key properties of 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-7'-prop-2-enylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine is sourced from PubChem (CID 143769068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).