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

C14H19N3 — CID 82391010

IUPAC(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
SMILESCc1ccc2[nH]c3c(c2c1)CCN(C)C3CN
InChIInChI=1S/C14H19N3/c1-9-3-4-12-11(7-9)10-5-6-17(2)13(8-15)14(10)16-12/h3-4,7,13,16H,5-6,8,15H2,1-2H3
InChIKeyVKKZPDSMIWOHFX-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.96
Rot. Bonds1

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

(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine (PubChem CID 82391010) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
PubChem CID82391010
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
SMILESCc1ccc2[nH]c3c(c2c1)CCN(C)C3CN
InChIInChI=1S/C14H19N3/c1-9-3-4-12-11(7-9)10-5-6-17(2)13(8-15)14(10)16-12/h3-4,7,13,16H,5-6,8,15H2,1-2H3
InChIKeyVKKZPDSMIWOHFX-UHFFFAOYSA-N
XLogP1.96
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82386113
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 11738439
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427
2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 145496012
2-(3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)-1-pyridin-4-ylethanol
CID 53380367
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 66612137
3-[(6-methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl]-4-methylhexan-1-ol
CID 611941
(2S,3R)-3-ethyl-2,3,12-trimethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
CID 7358795

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
The IUPAC name of (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine (CID 82391010) is (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine is Cc1ccc2[nH]c3c(c2c1)CCN(C)C3CN.
What is the InChIKey of (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
The InChIKey is VKKZPDSMIWOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-3-4-12-11(7-9)10-5-6-17(2)13(8-15)14(10)16-12/h3-4,7,13,16H,5-6,8,15H2,1-2H3.
What are the key properties of (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine?
(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine is sourced from PubChem (CID 82391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).