(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine

C15H21N3 — CID 82386113

IUPAC(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
SMILESCCc1ccc2[nH]c3c(c2c1)CCN(C)C3CN
InChIInChI=1S/C15H21N3/c1-3-10-4-5-13-12(8-10)11-6-7-18(2)14(9-16)15(11)17-13/h4-5,8,14,17H,3,6-7,9,16H2,1-2H3
InChIKeyGMFKTNHKYVISRH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.22
Rot. Bonds2

About (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine

(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine (PubChem CID 82386113) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
PubChem CID82386113
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
SMILESCCc1ccc2[nH]c3c(c2c1)CCN(C)C3CN
InChIInChI=1S/C15H21N3/c1-3-10-4-5-13-12(8-10)11-6-7-18(2)14(9-16)15(11)17-13/h4-5,8,14,17H,3,6-7,9,16H2,1-2H3
InChIKeyGMFKTNHKYVISRH-UHFFFAOYSA-N
XLogP2.22
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
The IUPAC name of (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine (CID 82386113) is (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine.
What is the SMILES notation for (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
The canonical SMILES for (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine is CCc1ccc2[nH]c3c(c2c1)CCN(C)C3CN.
What is the InChIKey of (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
The InChIKey is GMFKTNHKYVISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-10-4-5-13-12(8-10)11-6-7-18(2)14(9-16)15(11)17-13/h4-5,8,14,17H,3,6-7,9,16H2,1-2H3.
What are the key properties of (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine is sourced from PubChem (CID 82386113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).