N-(2-pyrrolidin-1-ylethyl)oxan-4-amine

C11H22N2O — CID 43608501

IUPACN-(2-pyrrolidin-1-ylethyl)oxan-4-amine
SMILESC1CCN(CCNC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-2-7-13(6-1)8-5-12-11-3-9-14-10-4-11/h11-12H,1-10H2
InChIKeyJIGPXLSSOWEMKY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)oxan-4-amine

N-(2-pyrrolidin-1-ylethyl)oxan-4-amine (PubChem CID 43608501) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)oxan-4-amine
PubChem CID43608501
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2-pyrrolidin-1-ylethyl)oxan-4-amine
SMILESC1CCN(CCNC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-2-7-13(6-1)8-5-12-11-3-9-14-10-4-11/h11-12H,1-10H2
InChIKeyJIGPXLSSOWEMKY-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
CID 114238437
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
CID 63100030
N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 61016051
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)oxan-4-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)oxan-4-amine (CID 43608501) is N-(2-pyrrolidin-1-ylethyl)oxan-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)oxan-4-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)oxan-4-amine is C1CCN(CCNC2CCOCC2)C1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)oxan-4-amine?
The InChIKey is JIGPXLSSOWEMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-7-13(6-1)8-5-12-11-3-9-14-10-4-11/h11-12H,1-10H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)oxan-4-amine?
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)oxan-4-amine is sourced from PubChem (CID 43608501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).