6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C24H30N2 — CID 143326400

IUPAC6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCC(Cc1ccccc1C)NC1CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C24H30N2/c1-4-19(15-18-9-6-5-8-17(18)3)25-23-11-7-10-20-21-14-16(2)12-13-22(21)26-24(20)23/h5-6,8-9,12-14,19,23,25-26H,4,7,10-11,15H2,1-3H3
InChIKeyGWJFBSOYDXRWQO-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.77
Rot. Bonds5

About 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 143326400) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID143326400
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCC(Cc1ccccc1C)NC1CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C24H30N2/c1-4-19(15-18-9-6-5-8-17(18)3)25-23-11-7-10-20-21-14-16(2)12-13-22(21)26-24(20)23/h5-6,8-9,12-14,19,23,25-26H,4,7,10-11,15H2,1-3H3
InChIKeyGWJFBSOYDXRWQO-UHFFFAOYSA-N
XLogP5.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 143326400) is 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCC(Cc1ccccc1C)NC1CCCc2c1[nH]c1ccc(C)cc21.
What is the InChIKey of 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is GWJFBSOYDXRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-4-19(15-18-9-6-5-8-17(18)3)25-23-11-7-10-20-21-14-16(2)12-13-22(21)26-24(20)23/h5-6,8-9,12-14,19,23,25-26H,4,7,10-11,15H2,1-3H3.
What are the key properties of 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 346.52 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 143326400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).