6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine

C16H22N2O — CID 65333211

IUPAC6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
SMILESCNC1CC(C)(C)Cc2[nH]c3ccc(OC)cc3c21
InChIInChI=1S/C16H22N2O/c1-16(2)8-13(17-3)15-11-7-10(19-4)5-6-12(11)18-14(15)9-16/h5-7,13,17-18H,8-9H2,1-4H3
InChIKeyOLKSGNKZJCSHGR-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.41
Rot. Bonds2

About 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine

6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine (PubChem CID 65333211) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine.

Molecular Properties

Compound Name6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
PubChem CID65333211
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
SMILESCNC1CC(C)(C)Cc2[nH]c3ccc(OC)cc3c21
InChIInChI=1S/C16H22N2O/c1-16(2)8-13(17-3)15-11-7-10(19-4)5-6-12(11)18-14(15)9-16/h5-7,13,17-18H,8-9H2,1-4H3
InChIKeyOLKSGNKZJCSHGR-UHFFFAOYSA-N
XLogP3.41
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
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 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
The IUPAC name of 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine (CID 65333211) is 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine.
What is the SMILES notation for 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
The canonical SMILES for 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine is CNC1CC(C)(C)Cc2[nH]c3ccc(OC)cc3c21.
What is the InChIKey of 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
The InChIKey is OLKSGNKZJCSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2)8-13(17-3)15-11-7-10(19-4)5-6-12(11)18-14(15)9-16/h5-7,13,17-18H,8-9H2,1-4H3.
What are the key properties of 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine has a molecular weight of 258.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine is sourced from PubChem (CID 65333211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).