1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine

C18H28N2O — CID 103992937

IUPAC1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCCC3CCCCO3)C2)cc1
InChIInChI=1S/C18H28N2O/c1-2-6-16(7-3-1)14-20-12-10-17(15-20)19-11-9-18-8-4-5-13-21-18/h1-3,6-7,17-19H,4-5,8-15H2
InChIKeyILEAWDKYYDEFMV-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.81
Rot. Bonds6

About 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine

1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 103992937) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID103992937
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCCC3CCCCO3)C2)cc1
InChIInChI=1S/C18H28N2O/c1-2-6-16(7-3-1)14-20-12-10-17(15-20)19-11-9-18-8-4-5-13-21-18/h1-3,6-7,17-19H,4-5,8-15H2
InChIKeyILEAWDKYYDEFMV-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95271771
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(oxan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034302
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine (CID 103992937) is 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine is c1ccc(CN2CCC(NCCC3CCCCO3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is ILEAWDKYYDEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-6-16(7-3-1)14-20-12-10-17(15-20)19-11-9-18-8-4-5-13-21-18/h1-3,6-7,17-19H,4-5,8-15H2.
What are the key properties of 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine?
1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).