2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine

C15H21N3 — CID 50742476

IUPAC2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine
SMILESCC(C)CN1CCc2[nH]c3ccc(N)cc3c2C1
InChIInChI=1S/C15H21N3/c1-10(2)8-18-6-5-15-13(9-18)12-7-11(16)3-4-14(12)17-15/h3-4,7,10,17H,5-6,8-9,16H2,1-2H3
InChIKeyLONYBNLBQLQHHF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.76
Rot. Bonds2

About 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine

2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine (PubChem CID 50742476) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine
PubChem CID50742476
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine
SMILESCC(C)CN1CCc2[nH]c3ccc(N)cc3c2C1
InChIInChI=1S/C15H21N3/c1-10(2)8-18-6-5-15-13(9-18)12-7-11(16)3-4-14(12)17-15/h3-4,7,10,17H,5-6,8-9,16H2,1-2H3
InChIKeyLONYBNLBQLQHHF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine?
The IUPAC name of 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine (CID 50742476) is 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine.
What is the SMILES notation for 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine?
The canonical SMILES for 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine is CC(C)CN1CCc2[nH]c3ccc(N)cc3c2C1.
What is the InChIKey of 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine?
The InChIKey is LONYBNLBQLQHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)8-18-6-5-15-13(9-18)12-7-11(16)3-4-14(12)17-15/h3-4,7,10,17H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine?
2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine has a molecular weight of 243.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 50742476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).