6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine

C21H22N2 — CID 135521804

IUPAC6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine
SMILESCc1ccc2[nH]c3c(c2c1)CCC/C3=N\C(C)c1ccccc1
InChIInChI=1S/C21H22N2/c1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-13,15,23H,6,9-10H2,1-2H3/b22-20+
InChIKeyRJSFOOKMRMBWIY-LSDHQDQOSA-N
MW302.42 g/mol
LogP5.36
Rot. Bonds2

About 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine

6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine (PubChem CID 135521804) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine.

Molecular Properties

Compound Name6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine
PubChem CID135521804
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine
SMILESCc1ccc2[nH]c3c(c2c1)CCC/C3=N\C(C)c1ccccc1
InChIInChI=1S/C21H22N2/c1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-13,15,23H,6,9-10H2,1-2H3/b22-20+
InChIKeyRJSFOOKMRMBWIY-LSDHQDQOSA-N
XLogP5.36
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine?
The IUPAC name of 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine (CID 135521804) is 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine.
What is the SMILES notation for 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine?
The canonical SMILES for 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine is Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\C(C)c1ccccc1.
What is the InChIKey of 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine?
The InChIKey is RJSFOOKMRMBWIY-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H22N2/c1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-13,15,23H,6,9-10H2,1-2H3/b22-20+.
What are the key properties of 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine?
6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine has a molecular weight of 302.42 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydrocarbazol-1-imine is sourced from PubChem (CID 135521804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).