8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine

C16H22N2 — CID 84630595

IUPAC8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCCc1cccc2c3c(n(C)c12)C(NC)CCC3
InChIInChI=1S/C16H22N2/c1-4-11-7-5-8-12-13-9-6-10-14(17-2)16(13)18(3)15(11)12/h5,7-8,14,17H,4,6,9-10H2,1-3H3
InChIKeyKLYWAEHLBDXGOQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.34
Rot. Bonds2

About 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine

8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine (PubChem CID 84630595) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine.

Molecular Properties

Compound Name8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
PubChem CID84630595
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCCc1cccc2c3c(n(C)c12)C(NC)CCC3
InChIInChI=1S/C16H22N2/c1-4-11-7-5-8-12-13-9-6-10-14(17-2)16(13)18(3)15(11)12/h5,7-8,14,17H,4,6,9-10H2,1-3H3
InChIKeyKLYWAEHLBDXGOQ-UHFFFAOYSA-N
XLogP3.34
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The IUPAC name of 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine (CID 84630595) is 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine.
What is the SMILES notation for 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The canonical SMILES for 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine is CCc1cccc2c3c(n(C)c12)C(NC)CCC3.
What is the InChIKey of 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The InChIKey is KLYWAEHLBDXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-11-7-5-8-12-13-9-6-10-14(17-2)16(13)18(3)15(11)12/h5,7-8,14,17H,4,6,9-10H2,1-3H3.
What are the key properties of 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine is sourced from PubChem (CID 84630595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).