1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine

C13H16N2O — CID 105469893

IUPAC1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
SMILESCOc1cccc2c1cc1n2CCC(N)C1
InChIInChI=1S/C13H16N2O/c1-16-13-4-2-3-12-11(13)8-10-7-9(14)5-6-15(10)12/h2-4,8-9H,5-7,14H2,1H3
InChIKeyAPCXVRWXEQLZRV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds1

About 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine

1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine (PubChem CID 105469893) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine.

Molecular Properties

Compound Name1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
PubChem CID105469893
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
SMILESCOc1cccc2c1cc1n2CCC(N)C1
InChIInChI=1S/C13H16N2O/c1-16-13-4-2-3-12-11(13)8-10-7-9(14)5-6-15(10)12/h2-4,8-9H,5-7,14H2,1H3
InChIKeyAPCXVRWXEQLZRV-UHFFFAOYSA-N
XLogP1.92
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
The IUPAC name of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine (CID 105469893) is 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine.
What is the SMILES notation for 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
The canonical SMILES for 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine is COc1cccc2c1cc1n2CCC(N)C1.
What is the InChIKey of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
The InChIKey is APCXVRWXEQLZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-13-4-2-3-12-11(13)8-10-7-9(14)5-6-15(10)12/h2-4,8-9H,5-7,14H2,1H3.
What are the key properties of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine has a molecular weight of 216.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine is sourced from PubChem (CID 105469893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).