1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine

C14H22N2O — CID 62086847

IUPAC1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCOC1CCCC1n1ccc2c1CCCC2N
InChIInChI=1S/C14H22N2O/c1-17-14-7-3-6-13(14)16-9-8-10-11(15)4-2-5-12(10)16/h8-9,11,13-14H,2-7,15H2,1H3
InChIKeyMWOXPSIENKASGF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds2

About 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine

1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 62086847) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID62086847
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCOC1CCCC1n1ccc2c1CCCC2N
InChIInChI=1S/C14H22N2O/c1-17-14-7-3-6-13(14)16-9-8-10-11(15)4-2-5-12(10)16/h8-9,11,13-14H,2-7,15H2,1H3
InChIKeyMWOXPSIENKASGF-UHFFFAOYSA-N
XLogP2.56
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine (CID 62086847) is 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine is COC1CCCC1n1ccc2c1CCCC2N.
What is the InChIKey of 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is MWOXPSIENKASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-7-3-6-13(14)16-9-8-10-11(15)4-2-5-12(10)16/h8-9,11,13-14H,2-7,15H2,1H3.
What are the key properties of 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 62086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).