1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine

C21H22N2S — CID 138376572

IUPAC1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine
SMILESCCn1c2ccc(CNC)cc2c2ccc(-c3ccc(C)s3)cc21
InChIInChI=1S/C21H22N2S/c1-4-23-19-9-6-15(13-22-3)11-18(19)17-8-7-16(12-20(17)23)21-10-5-14(2)24-21/h5-12,22H,4,13H2,1-3H3
InChIKeyAYQRLKNUUZAQQN-UHFFFAOYSA-N
MW334.49 g/mol
LogP5.57
Rot. Bonds4

About 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine

1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine (PubChem CID 138376572) has the molecular formula C21H22N2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine
PubChem CID138376572
Molecular FormulaC21H22N2S
Molecular Weight334.49 g/mol
Exact Mass334.15
IUPAC Name1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine
SMILESCCn1c2ccc(CNC)cc2c2ccc(-c3ccc(C)s3)cc21
InChIInChI=1S/C21H22N2S/c1-4-23-19-9-6-15(13-22-3)11-18(19)17-8-7-16(12-20(17)23)21-10-5-14(2)24-21/h5-12,22H,4,13H2,1-3H3
InChIKeyAYQRLKNUUZAQQN-UHFFFAOYSA-N
XLogP5.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine (CID 138376572) is 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine is CCn1c2ccc(CNC)cc2c2ccc(-c3ccc(C)s3)cc21.
What is the InChIKey of 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine?
The InChIKey is AYQRLKNUUZAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2S/c1-4-23-19-9-6-15(13-22-3)11-18(19)17-8-7-16(12-20(17)23)21-10-5-14(2)24-21/h5-12,22H,4,13H2,1-3H3.
What are the key properties of 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine?
1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine has a molecular weight of 334.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 138376572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).