N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine

C20H30N2O3 — CID 120914251

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCCC(NC1CCCC1C1COCCN1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H30N2O3/c1-2-16(14-6-7-19-20(12-14)25-11-10-24-19)22-17-5-3-4-15(17)18-13-23-9-8-21-18/h6-7,12,15-18,21-22H,2-5,8-11,13H2,1H3
InChIKeyAMSUEOPLZAGEEA-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.66
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120914251) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120914251
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCCC(NC1CCCC1C1COCCN1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H30N2O3/c1-2-16(14-6-7-19-20(12-14)25-11-10-24-19)22-17-5-3-4-15(17)18-13-23-9-8-21-18/h6-7,12,15-18,21-22H,2-5,8-11,13H2,1H3
InChIKeyAMSUEOPLZAGEEA-UHFFFAOYSA-N
XLogP2.66
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913891
N,N-diethyl-N'-(2-morpholin-3-ylcyclopentyl)-1-thiophen-3-ylethane-1,2-diamine
CID 120915411
N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
CID 62860778
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914216
2-morpholin-3-yl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine;hydrochloride
CID 120915844
3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916354
1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
CID 120914540
2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
CID 120914113
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119299785
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120914251) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine is CCC(NC1CCCC1C1COCCN1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is AMSUEOPLZAGEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-16(14-6-7-19-20(12-14)25-11-10-24-19)22-17-5-3-4-15(17)18-13-23-9-8-21-18/h6-7,12,15-18,21-22H,2-5,8-11,13H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 346.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120914251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).