2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole

C18H29N — CID 173178525

IUPAC2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole
SMILESCC1(c2cc3c([nH]2)CCCC3)CCCCCCCC1
InChIInChI=1S/C18H29N/c1-18(12-8-4-2-3-5-9-13-18)17-14-15-10-6-7-11-16(15)19-17/h14,19H,2-13H2,1H3
InChIKeyBQDHNUOFJOQAPI-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.29
Rot. Bonds1

About 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole

2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole (PubChem CID 173178525) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole
PubChem CID173178525
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole
SMILESCC1(c2cc3c([nH]2)CCCC3)CCCCCCCC1
InChIInChI=1S/C18H29N/c1-18(12-8-4-2-3-5-9-13-18)17-14-15-10-6-7-11-16(15)19-17/h14,19H,2-13H2,1H3
InChIKeyBQDHNUOFJOQAPI-UHFFFAOYSA-N
XLogP5.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole (CID 173178525) is 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole is CC1(c2cc3c([nH]2)CCCC3)CCCCCCCC1.
What is the InChIKey of 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is BQDHNUOFJOQAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(12-8-4-2-3-5-9-13-18)17-14-15-10-6-7-11-16(15)19-17/h14,19H,2-13H2,1H3.
What are the key properties of 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole?
2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 259.44 g/mol, XLogP of 5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 173178525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).