4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine

C15H23N — CID 167114083

IUPAC4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
SMILESCC(C)(C)c1cc(N)cc2c1CCCCC2
InChIInChI=1S/C15H23N/c1-15(2,3)14-10-12(16)9-11-7-5-4-6-8-13(11)14/h9-10H,4-8,16H2,1-3H3
InChIKeyGNYMDZSLGGOZCH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.84
Rot. Bonds

About 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine

4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine (PubChem CID 167114083) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
PubChem CID167114083
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
SMILESCC(C)(C)c1cc(N)cc2c1CCCCC2
InChIInChI=1S/C15H23N/c1-15(2,3)14-10-12(16)9-11-7-5-4-6-8-13(11)14/h9-10H,4-8,16H2,1-3H3
InChIKeyGNYMDZSLGGOZCH-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine?
The IUPAC name of 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine (CID 167114083) is 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine.
What is the SMILES notation for 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine?
The canonical SMILES for 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine is CC(C)(C)c1cc(N)cc2c1CCCCC2.
What is the InChIKey of 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine?
The InChIKey is GNYMDZSLGGOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)14-10-12(16)9-11-7-5-4-6-8-13(11)14/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine?
4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine is sourced from PubChem (CID 167114083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).