1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine

C13H24N2O — CID 167501922

IUPAC1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
SMILESCCN1CCC(NC2CC23CCOCC3)C1
InChIInChI=1S/C13H24N2O/c1-2-15-6-3-11(10-15)14-12-9-13(12)4-7-16-8-5-13/h11-12,14H,2-10H2,1H3
InChIKeyXSKXQPXERRYMRI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds3

About 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine

1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine (PubChem CID 167501922) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
PubChem CID167501922
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
SMILESCCN1CCC(NC2CC23CCOCC3)C1
InChIInChI=1S/C13H24N2O/c1-2-15-6-3-11(10-15)14-12-9-13(12)4-7-16-8-5-13/h11-12,14H,2-10H2,1H3
InChIKeyXSKXQPXERRYMRI-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-8-oxa-2-azaspiro(4.5)decan-4-amine dihydrochloride
CID 136574201
3,3,3-Trifluoro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine
CID 114279182
N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 136574202
Methyl-[2-pyrrolidin-1-yl-1-(tetrahydro-pyran-4-yl)-ethyl]-amine
CID 44784980
N-methyl-1-(oxan-3-ylmethyl)pyrrolidin-3-amine
CID 61867543
1-Methyl-8-oxa-2-azaspiro[4.5]decane
CID 62354788
(R)-N-Methyl-1-((tetrahydro-2H-pyran-4-yl)methyl)pyrrolidin-3-amine
CID 63712222
(1S)-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine
CID 68030349
1-(2-Oxa-8-azaspiro[4.5]decan-8-yl)propan-2-amine
CID 69004966
2-Methyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83816210
2-Methyl-7-oxa-2-azaspiro[4.5]decan-10-amine
CID 124199852
2-(2-Oxa-8-azaspiro[4.5]decan-8-yl)ethanamine
CID 130137847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine (CID 167501922) is 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine is CCN1CCC(NC2CC23CCOCC3)C1.
What is the InChIKey of 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
The InChIKey is XSKXQPXERRYMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15-6-3-11(10-15)14-12-9-13(12)4-7-16-8-5-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167501922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).