6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine

C24H31NO — CID 21280848

IUPAC6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine
SMILESCc1cc(C)c2cc3c(C)ccc(C)c3c(OCCCCCCN)c2c1
InChIInChI=1S/C24H31NO/c1-16-13-19(4)20-15-21-17(2)9-10-18(3)23(21)24(22(20)14-16)26-12-8-6-5-7-11-25/h9-10,13-15H,5-8,11-12,25H2,1-4H3
InChIKeyZIDLGSDDVMCGEL-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.12
Rot. Bonds7

About 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine

6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine (PubChem CID 21280848) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine.

Molecular Properties

Compound Name6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine
PubChem CID21280848
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine
SMILESCc1cc(C)c2cc3c(C)ccc(C)c3c(OCCCCCCN)c2c1
InChIInChI=1S/C24H31NO/c1-16-13-19(4)20-15-21-17(2)9-10-18(3)23(21)24(22(20)14-16)26-12-8-6-5-7-11-25/h9-10,13-15H,5-8,11-12,25H2,1-4H3
InChIKeyZIDLGSDDVMCGEL-UHFFFAOYSA-N
XLogP6.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine?
The IUPAC name of 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine (CID 21280848) is 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine.
What is the SMILES notation for 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine?
The canonical SMILES for 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine is Cc1cc(C)c2cc3c(C)ccc(C)c3c(OCCCCCCN)c2c1.
What is the InChIKey of 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine?
The InChIKey is ZIDLGSDDVMCGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-16-13-19(4)20-15-21-17(2)9-10-18(3)23(21)24(22(20)14-16)26-12-8-6-5-7-11-25/h9-10,13-15H,5-8,11-12,25H2,1-4H3.
What are the key properties of 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine?
6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine has a molecular weight of 349.52 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine is sourced from PubChem (CID 21280848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).