9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine

C16H22N2 — CID 163818585

IUPAC9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine
SMILESCCN1c2cc(N)ccc2C2(C)C=CC(C)CC12
InChIInChI=1S/C16H22N2/c1-4-18-14-10-12(17)5-6-13(14)16(3)8-7-11(2)9-15(16)18/h5-8,10-11,15H,4,9,17H2,1-3H3
InChIKeyNTLOROAACLWSQY-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.33
Rot. Bonds1

About 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine

9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine (PubChem CID 163818585) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine.

Molecular Properties

Compound Name9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine
PubChem CID163818585
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine
SMILESCCN1c2cc(N)ccc2C2(C)C=CC(C)CC12
InChIInChI=1S/C16H22N2/c1-4-18-14-10-12(17)5-6-13(14)16(3)8-7-11(2)9-15(16)18/h5-8,10-11,15H,4,9,17H2,1-3H3
InChIKeyNTLOROAACLWSQY-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine?
The IUPAC name of 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine (CID 163818585) is 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine.
What is the SMILES notation for 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine?
The canonical SMILES for 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine is CCN1c2cc(N)ccc2C2(C)C=CC(C)CC12.
What is the InChIKey of 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine?
The InChIKey is NTLOROAACLWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-18-14-10-12(17)5-6-13(14)16(3)8-7-11(2)9-15(16)18/h5-8,10-11,15H,4,9,17H2,1-3H3.
What are the key properties of 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine?
9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4b,7-dimethyl-8,8a-dihydro-7H-carbazol-2-amine is sourced from PubChem (CID 163818585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).