N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine

C10H20N2O2 — CID 123978873

IUPACN-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine
SMILESCCCN(C)N1CC2OCCOC2C1
InChIInChI=1S/C10H20N2O2/c1-3-4-11(2)12-7-9-10(8-12)14-6-5-13-9/h9-10H,3-8H2,1-2H3
InChIKeyCCISZNXODDWRMO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.34
Rot. Bonds3

About N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine

N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine (PubChem CID 123978873) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine
PubChem CID123978873
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine
SMILESCCCN(C)N1CC2OCCOC2C1
InChIInChI=1S/C10H20N2O2/c1-3-4-11(2)12-7-9-10(8-12)14-6-5-13-9/h9-10H,3-8H2,1-2H3
InChIKeyCCISZNXODDWRMO-UHFFFAOYSA-N
XLogP0.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine with MolForge

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Related Compounds

(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 118641587
2-(azetidin-3-yl)-4-propylmorpholine
CID 172596990
N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide
CID 175077977
N-methyl-N-propyloxan-2-amine
CID 91002672
6-(1,1-dideuterio-2,2-dimethylpropyl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 118901766
2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol
CID 162353629
N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide
CID 166542933
2-heptan-4-yl-1,3-dioxolane
CID 57255481
N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
CID 82836501
2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
CID 175060731

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine?
The IUPAC name of N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine (CID 123978873) is N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine.
What is the SMILES notation for N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine?
The canonical SMILES for N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine is CCCN(C)N1CC2OCCOC2C1.
What is the InChIKey of N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine?
The InChIKey is CCISZNXODDWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-11(2)12-7-9-10(8-12)14-6-5-13-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine?
N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine has a molecular weight of 200.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-amine is sourced from PubChem (CID 123978873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).