N-[(1-ethylindol-3-yl)methyl]cyclooctanamine

C19H28N2 — CID 29228709

IUPACN-[(1-ethylindol-3-yl)methyl]cyclooctanamine
SMILESCCn1cc(CNC2CCCCCCC2)c2ccccc21
InChIInChI=1S/C19H28N2/c1-2-21-15-16(18-12-8-9-13-19(18)21)14-20-17-10-6-4-3-5-7-11-17/h8-9,12-13,15,17,20H,2-7,10-11,14H2,1H3
InChIKeyOGRFXMIARLHEBN-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.86
Rot. Bonds4

About N-[(1-ethylindol-3-yl)methyl]cyclooctanamine

N-[(1-ethylindol-3-yl)methyl]cyclooctanamine (PubChem CID 29228709) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(1-ethylindol-3-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(1-ethylindol-3-yl)methyl]cyclooctanamine
PubChem CID29228709
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(1-ethylindol-3-yl)methyl]cyclooctanamine
SMILESCCn1cc(CNC2CCCCCCC2)c2ccccc21
InChIInChI=1S/C19H28N2/c1-2-21-15-16(18-12-8-9-13-19(18)21)14-20-17-10-6-4-3-5-7-11-17/h8-9,12-13,15,17,20H,2-7,10-11,14H2,1H3
InChIKeyOGRFXMIARLHEBN-UHFFFAOYSA-N
XLogP4.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-3-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(1-ethylindol-3-yl)methyl]cyclooctanamine (CID 29228709) is N-[(1-ethylindol-3-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(1-ethylindol-3-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(1-ethylindol-3-yl)methyl]cyclooctanamine is CCn1cc(CNC2CCCCCCC2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindol-3-yl)methyl]cyclooctanamine?
The InChIKey is OGRFXMIARLHEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-21-15-16(18-12-8-9-13-19(18)21)14-20-17-10-6-4-3-5-7-11-17/h8-9,12-13,15,17,20H,2-7,10-11,14H2,1H3.
What are the key properties of N-[(1-ethylindol-3-yl)methyl]cyclooctanamine?
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine has a molecular weight of 284.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-3-yl)methyl]cyclooctanamine is sourced from PubChem (CID 29228709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).