8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine

C14H17BrN2 — CID 65332876

IUPAC8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
SMILESCC1(C)Cc2[nH]c3c(Br)cccc3c2C(N)C1
InChIInChI=1S/C14H17BrN2/c1-14(2)6-10(16)12-8-4-3-5-9(15)13(8)17-11(12)7-14/h3-5,10,17H,6-7,16H2,1-2H3
InChIKeyKZYNSCMWYMLNDX-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.90
Rot. Bonds

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

8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine (PubChem CID 65332876) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine.

Molecular Properties

Compound Name8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
PubChem CID65332876
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
SMILESCC1(C)Cc2[nH]c3c(Br)cccc3c2C(N)C1
InChIInChI=1S/C14H17BrN2/c1-14(2)6-10(16)12-8-4-3-5-9(15)13(8)17-11(12)7-14/h3-5,10,17H,6-7,16H2,1-2H3
InChIKeyKZYNSCMWYMLNDX-UHFFFAOYSA-N
XLogP3.90
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
The IUPAC name of 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine (CID 65332876) is 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine.
What is the SMILES notation for 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
The canonical SMILES for 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine is CC1(C)Cc2[nH]c3c(Br)cccc3c2C(N)C1.
What is the InChIKey of 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
The InChIKey is KZYNSCMWYMLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-14(2)6-10(16)12-8-4-3-5-9(15)13(8)17-11(12)7-14/h3-5,10,17H,6-7,16H2,1-2H3.
What are the key properties of 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine?
8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine has a molecular weight of 293.21 g/mol, XLogP of 3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-amine is sourced from PubChem (CID 65332876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).