N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine

C15H22N2O3 — CID 121230567

IUPACN-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
SMILESCN(CCCN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-16(5-2-6-17-7-9-18-10-8-17)13-3-4-14-15(11-13)20-12-19-14/h3-4,11H,2,5-10,12H2,1H3
InChIKeyPENQEHPKYSVXQM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.57
Rot. Bonds5

About N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine

N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine (PubChem CID 121230567) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
PubChem CID121230567
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
SMILESCN(CCCN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-16(5-2-6-17-7-9-18-10-8-17)13-3-4-14-15(11-13)20-12-19-14/h3-4,11H,2,5-10,12H2,1H3
InChIKeyPENQEHPKYSVXQM-UHFFFAOYSA-N
XLogP1.57
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
CID 110452723
N-(3-bromopropyl)-N-methyl-1,3-benzodioxol-5-amine
CID 68690964
2-[1,3-benzodioxol-5-yl(methyl)amino]ethanol
CID 82112129
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 82492500
4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 158025581
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4133885
1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine
CID 67561389
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132829

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine (CID 121230567) is N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine is CN(CCCN1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine?
The InChIKey is PENQEHPKYSVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(5-2-6-17-7-9-18-10-8-17)13-3-4-14-15(11-13)20-12-19-14/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine?
N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine has a molecular weight of 278.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 121230567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).