N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine

C17H23NO3 — CID 126823830

IUPACN-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine
SMILESCOc1ccccc1C=CCNC1CCCC12OCCO2
InChIInChI=1S/C17H23NO3/c1-19-15-8-3-2-6-14(15)7-5-11-18-16-9-4-10-17(16)20-12-13-21-17/h2-3,5-8,16,18H,4,9-13H2,1H3
InChIKeyGMQLBMIQHBEWLW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds5

About N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine

N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine (PubChem CID 126823830) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine
PubChem CID126823830
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine
SMILESCOc1ccccc1C=CCNC1CCCC12OCCO2
InChIInChI=1S/C17H23NO3/c1-19-15-8-3-2-6-14(15)7-5-11-18-16-9-4-10-17(16)20-12-13-21-17/h2-3,5-8,16,18H,4,9-13H2,1H3
InChIKeyGMQLBMIQHBEWLW-UHFFFAOYSA-N
XLogP2.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine (CID 126823830) is N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine is COc1ccccc1C=CCNC1CCCC12OCCO2.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine?
The InChIKey is GMQLBMIQHBEWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-19-15-8-3-2-6-14(15)7-5-11-18-16-9-4-10-17(16)20-12-13-21-17/h2-3,5-8,16,18H,4,9-13H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine?
N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine has a molecular weight of 289.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine is sourced from PubChem (CID 126823830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).