3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine

C13H26N2O2 — CID 103532098

IUPAC3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1CCC(OC)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-14-12-5-8-17-10-13(12)15-7-4-11(9-15)16-2/h11-14H,3-10H2,1-2H3
InChIKeyCEZGFELMOVSWCJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds5

About 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine

3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine (PubChem CID 103532098) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
PubChem CID103532098
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1CCC(OC)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-14-12-5-8-17-10-13(12)15-7-4-11(9-15)16-2/h11-14H,3-10H2,1-2H3
InChIKeyCEZGFELMOVSWCJ-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)oxan-4-ol
CID 103537640
3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
CID 103532587
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
CID 63610196
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propyloxan-4-amine
CID 63013936
N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532122
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyloxan-4-amine
CID 63150384
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
CID 83227452
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine (CID 103532098) is 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine is CCCNC1CCOCC1N1CCC(OC)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine?
The InChIKey is CEZGFELMOVSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-14-12-5-8-17-10-13(12)15-7-4-11(9-15)16-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine?
3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine is sourced from PubChem (CID 103532098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).