3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine

C15H30N2O — CID 83227452

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1C(C)CCC1CC
InChIInChI=1S/C15H30N2O/c1-4-9-16-14-8-10-18-11-15(14)17-12(3)6-7-13(17)5-2/h12-16H,4-11H2,1-3H3
InChIKeyCNKOOAIZYUKZQB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine

3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine (PubChem CID 83227452) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
PubChem CID83227452
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1C(C)CCC1CC
InChIInChI=1S/C15H30N2O/c1-4-9-16-14-8-10-18-11-15(14)17-12(3)6-7-13(17)5-2/h12-16H,4-11H2,1-3H3
InChIKeyCNKOOAIZYUKZQB-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
CID 103532098
N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83219193
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
CID 63610196
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol
CID 107772654
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-amine
CID 83227358
N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine
CID 113441647
3-hexyl-N-propyloxan-4-amine
CID 106469429
2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616709
3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propyloxan-4-amine
CID 63013936

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine (CID 83227452) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine is CCCNC1CCOCC1N1C(C)CCC1CC.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine?
The InChIKey is CNKOOAIZYUKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-9-16-14-8-10-18-11-15(14)17-12(3)6-7-13(17)5-2/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine?
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine is sourced from PubChem (CID 83227452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).