(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine

C11H22N2O — CID 115302471

IUPAC(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CCCC2CCCO2)C1
InChIInChI=1S/C11H22N2O/c12-10-5-7-13(9-10)6-1-3-11-4-2-8-14-11/h10-11H,1-9,12H2/t10-,11?/m0/s1
InChIKeyNOJASRZUPKKQCV-VUWPPUDQSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds4

About (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine

(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine (PubChem CID 115302471) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
PubChem CID115302471
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CCCC2CCCO2)C1
InChIInChI=1S/C11H22N2O/c12-10-5-7-13(9-10)6-1-3-11-4-2-8-14-11/h10-11H,1-9,12H2/t10-,11?/m0/s1
InChIKeyNOJASRZUPKKQCV-VUWPPUDQSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553923
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65161247
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
8-[3-(oxolan-2-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 65161841

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine (CID 115302471) is (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine is N[C@H]1CCN(CCCC2CCCO2)C1.
What is the InChIKey of (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine?
The InChIKey is NOJASRZUPKKQCV-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-5-7-13(9-10)6-1-3-11-4-2-8-14-11/h10-11H,1-9,12H2/t10-,11?/m0/s1.
What are the key properties of (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine?
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 115302471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).