N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine

C17H34N2O — CID 107136588

IUPACN,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCOC1)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H34N2O/c1-4-17(5-2,19-11-7-8-12-19)16(18-6-3)15-10-9-13-20-14-15/h15-16,18H,4-14H2,1-3H3
InChIKeyKKGXSERIFSDQLA-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds7

About N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 107136588) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID107136588
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCOC1)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H34N2O/c1-4-17(5-2,19-11-7-8-12-19)16(18-6-3)15-10-9-13-20-14-15/h15-16,18H,4-14H2,1-3H3
InChIKeyKKGXSERIFSDQLA-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine
CID 107139611
N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79057396
2-methyl-1-(oxan-3-yl)-2-piperidin-1-yl-N-propylpropan-1-amine
CID 107136554
(1-cyclopentyl-2-ethyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105242115
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 79051831
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
1-cyclopentyl-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79052377
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine (CID 107136588) is N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine is CCNC(C1CCCOC1)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is KKGXSERIFSDQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-17(5-2,19-11-7-8-12-19)16(18-6-3)15-10-9-13-20-14-15/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 107136588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).