4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine

C21H28N2 — CID 154019465

IUPAC4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine
SMILESCC1(C)C=C(CCCCN)c2nc3c(cc2=C1)C=CC(C)(C)C=3
InChIInChI=1S/C21H28N2/c1-20(2)9-8-15-11-17-13-21(3,4)12-16(7-5-6-10-22)19(17)23-18(15)14-20/h8-9,11-14H,5-7,10,22H2,1-4H3
InChIKeyFSQYJAKBDPHOGD-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.25
Rot. Bonds4

About 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine

4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine (PubChem CID 154019465) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine
PubChem CID154019465
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine
SMILESCC1(C)C=C(CCCCN)c2nc3c(cc2=C1)C=CC(C)(C)C=3
InChIInChI=1S/C21H28N2/c1-20(2)9-8-15-11-17-13-21(3,4)12-16(7-5-6-10-22)19(17)23-18(15)14-20/h8-9,11-14H,5-7,10,22H2,1-4H3
InChIKeyFSQYJAKBDPHOGD-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine?
The IUPAC name of 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine (CID 154019465) is 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine?
The canonical SMILES for 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine is CC1(C)C=C(CCCCN)c2nc3c(cc2=C1)C=CC(C)(C)C=3.
What is the InChIKey of 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine?
The InChIKey is FSQYJAKBDPHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-20(2)9-8-15-11-17-13-21(3,4)12-16(7-5-6-10-22)19(17)23-18(15)14-20/h8-9,11-14H,5-7,10,22H2,1-4H3.
What are the key properties of 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine?
4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine has a molecular weight of 308.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylacridin-4-yl)butan-1-amine is sourced from PubChem (CID 154019465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).