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

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

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

Launch Full Analysis

Related Compounds

(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
CID 98474954
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
CID 126823813
4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 127265694
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124263
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726

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).