9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine

C21H31N — CID 154954033

IUPAC9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine
SMILESCCCCC1(CCCC)C2=CCCC=C2NC2C=CC=CC21
InChIInChI=1S/C21H31N/c1-3-5-15-21(16-6-4-2)17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)21/h7,9,11-14,17,19,22H,3-6,8,10,15-16H2,1-2H3
InChIKeyYLIXYPYGSJPYCQ-UHFFFAOYSA-N
MW297.49 g/mol
LogP5.67
Rot. Bonds6

About 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine

9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine (PubChem CID 154954033) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine.

Molecular Properties

Compound Name9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine
PubChem CID154954033
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine
SMILESCCCCC1(CCCC)C2=CCCC=C2NC2C=CC=CC21
InChIInChI=1S/C21H31N/c1-3-5-15-21(16-6-4-2)17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)21/h7,9,11-14,17,19,22H,3-6,8,10,15-16H2,1-2H3
InChIKeyYLIXYPYGSJPYCQ-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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trans-Octahydrobenzo(f)quinoline
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CID 166685924
(E)-N-[4-tert-butyl-6-(6-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,5-dien-1-yl]-N'-(5,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-yl)prop-1-ene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine?
The IUPAC name of 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine (CID 154954033) is 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine.
What is the SMILES notation for 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine?
The canonical SMILES for 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine is CCCCC1(CCCC)C2=CCCC=C2NC2C=CC=CC21.
What is the InChIKey of 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine?
The InChIKey is YLIXYPYGSJPYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-3-5-15-21(16-6-4-2)17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)21/h7,9,11-14,17,19,22H,3-6,8,10,15-16H2,1-2H3.
What are the key properties of 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine?
9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine has a molecular weight of 297.49 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-3,8a,10,10a-tetrahydro-2H-acridine is sourced from PubChem (CID 154954033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).