1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine

C11H13N3 — CID 118402613

IUPAC1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
SMILESNN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C11H13N3/c12-14-6-5-9-8-3-1-2-4-10(8)13-11(9)7-14/h1-4,13H,5-7,12H2
InChIKeySCNDKDGKOVNHHV-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.40
Rot. Bonds

About 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine

1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine (PubChem CID 118402613) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine.

Molecular Properties

Compound Name1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
PubChem CID118402613
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
SMILESNN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C11H13N3/c12-14-6-5-9-8-3-1-2-4-10(8)13-11(9)7-14/h1-4,13H,5-7,12H2
InChIKeySCNDKDGKOVNHHV-UHFFFAOYSA-N
XLogP1.40
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 22154185
N-tert-butyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine
CID 14105650
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
CID 91258224
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
ethane;2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 156709486
3-amino-6-methyl-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 155199636
2-[(3-methylthiophen-2-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 40514091
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid
CID 87851999
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713

Frequently Asked Questions

What is the IUPAC name of 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine?
The IUPAC name of 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine (CID 118402613) is 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine.
What is the SMILES notation for 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine?
The canonical SMILES for 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine is NN1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine?
The InChIKey is SCNDKDGKOVNHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-14-6-5-9-8-3-1-2-4-10(8)13-11(9)7-14/h1-4,13H,5-7,12H2.
What are the key properties of 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine?
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine is sourced from PubChem (CID 118402613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).