N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine

C19H28N2O — CID 22732059

IUPACN,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine
SMILESCCN(CC)CCc1ccc2ccn(C3CCOCC3)c2c1
InChIInChI=1S/C19H28N2O/c1-3-20(4-2)11-7-16-5-6-17-8-12-21(19(17)15-16)18-9-13-22-14-10-18/h5-6,8,12,15,18H,3-4,7,9-11,13-14H2,1-2H3
InChIKeyLGJPNUQVCJTOPV-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.88
Rot. Bonds6

About N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine

N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine (PubChem CID 22732059) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine
PubChem CID22732059
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine
SMILESCCN(CC)CCc1ccc2ccn(C3CCOCC3)c2c1
InChIInChI=1S/C19H28N2O/c1-3-20(4-2)11-7-16-5-6-17-8-12-21(19(17)15-16)18-9-13-22-14-10-18/h5-6,8,12,15,18H,3-4,7,9-11,13-14H2,1-2H3
InChIKeyLGJPNUQVCJTOPV-UHFFFAOYSA-N
XLogP3.88
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine (CID 22732059) is N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine is CCN(CC)CCc1ccc2ccn(C3CCOCC3)c2c1.
What is the InChIKey of N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine?
The InChIKey is LGJPNUQVCJTOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-20(4-2)11-7-16-5-6-17-8-12-21(19(17)15-16)18-9-13-22-14-10-18/h5-6,8,12,15,18H,3-4,7,9-11,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine?
N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine has a molecular weight of 300.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine is sourced from PubChem (CID 22732059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).