2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine

C11H22N2O — CID 83618622

IUPAC2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(C2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c12-5-1-10-2-6-13(9-10)11-3-7-14-8-4-11/h10-11H,1-9,12H2
InChIKeyQCSKZANBOJFTOO-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.84
Rot. Bonds3

About 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine

2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 83618622) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine
PubChem CID83618622
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(C2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c12-5-1-10-2-6-13(9-10)11-3-7-14-8-4-11/h10-11H,1-9,12H2
InChIKeyQCSKZANBOJFTOO-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
2-[(3R)-1-cyclohexylpiperidin-3-yl]ethanamine
CID 95308858
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
[(2R)-4-(oxan-4-yl)morpholin-2-yl]methanamine
CID 155354323
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[1-(3-methylsulfonylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 114802518
5-methyl-1-(oxan-4-yl)piperidin-3-amine
CID 79986267
tert-butyl-[[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]carbamic acid
CID 67126553
2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
CID 65088885
3,5-dichloro-4-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]phenol
CID 141203578
2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine
CID 73440123
1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
CID 95841791

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine (CID 83618622) is 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine is NCCC1CCN(C2CCOCC2)C1.
What is the InChIKey of 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is QCSKZANBOJFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-5-1-10-2-6-13(9-10)11-3-7-14-8-4-11/h10-11H,1-9,12H2.
What are the key properties of 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine?
2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 83618622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).