1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine

C14H22N2O — CID 63712868

IUPAC1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2CC1CCOCC1
InChIInChI=1S/C14H22N2O/c15-13-2-1-3-14-12(13)4-7-16(14)10-11-5-8-17-9-6-11/h4,7,11,13H,1-3,5-6,8-10,15H2
InChIKeyOHWPDKHUHAJNHY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.25
Rot. Bonds2

About 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine

1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63712868) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63712868
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2CC1CCOCC1
InChIInChI=1S/C14H22N2O/c15-13-2-1-3-14-12(13)4-7-16(14)10-11-5-8-17-9-6-11/h4,7,11,13H,1-3,5-6,8-10,15H2
InChIKeyOHWPDKHUHAJNHY-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine (CID 63712868) is 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is OHWPDKHUHAJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-2-1-3-14-12(13)4-7-16(14)10-11-5-8-17-9-6-11/h4,7,11,13H,1-3,5-6,8-10,15H2.
What are the key properties of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63712868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).