N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine

C14H24N2O — CID 103136333

IUPACN-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CC1CCC(C)O1
InChIInChI=1S/C14H24N2O/c1-4-15-12(3)14-6-5-9-16(14)10-13-8-7-11(2)17-13/h5-6,9,11-13,15H,4,7-8,10H2,1-3H3
InChIKeyIDJYDFHUEXJCBU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.73
Rot. Bonds5

About N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine

N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 103136333) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID103136333
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CC1CCC(C)O1
InChIInChI=1S/C14H24N2O/c1-4-15-12(3)14-6-5-9-16(14)10-13-8-7-11(2)17-13/h5-6,9,11-13,15H,4,7-8,10H2,1-3H3
InChIKeyIDJYDFHUEXJCBU-UHFFFAOYSA-N
XLogP2.73
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine (CID 103136333) is N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1CC1CCC(C)O1.
What is the InChIKey of N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is IDJYDFHUEXJCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-15-12(3)14-6-5-9-16(14)10-13-8-7-11(2)17-13/h5-6,9,11-13,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 103136333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).