4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine

C26H37N — CID 166931195

IUPAC4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(CCCCN)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C26H37N/c1-24(2,3)18-10-12-20-21-13-11-19(25(4,5)6)17-23(21)26(7,22(20)16-18)14-8-9-15-27/h10-13,16-17H,8-9,14-15,27H2,1-7H3
InChIKeyVXLQNVWBQXOFTL-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.70
Rot. Bonds4

About 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine

4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine (PubChem CID 166931195) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine
PubChem CID166931195
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(CCCCN)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C26H37N/c1-24(2,3)18-10-12-20-21-13-11-19(25(4,5)6)17-23(21)26(7,22(20)16-18)14-8-9-15-27/h10-13,16-17H,8-9,14-15,27H2,1-7H3
InChIKeyVXLQNVWBQXOFTL-UHFFFAOYSA-N
XLogP6.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine?
The IUPAC name of 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine (CID 166931195) is 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine.
What is the SMILES notation for 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine?
The canonical SMILES for 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine is CC(C)(C)c1ccc2c(c1)C(C)(CCCCN)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine?
The InChIKey is VXLQNVWBQXOFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-24(2,3)18-10-12-20-21-13-11-19(25(4,5)6)17-23(21)26(7,22(20)16-18)14-8-9-15-27/h10-13,16-17H,8-9,14-15,27H2,1-7H3.
What are the key properties of 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine?
4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine has a molecular weight of 363.59 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine is sourced from PubChem (CID 166931195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).