3-hexylacridine

C19H21N — CID 21394642

IUPAC3-hexylacridine
SMILESCCCCCCc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C19H21N/c1-2-3-4-5-8-15-11-12-17-14-16-9-6-7-10-18(16)20-19(17)13-15/h6-7,9-14H,2-5,8H2,1H3
InChIKeyNLDFCWRKXMEEKR-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.51
Rot. Bonds5

About 3-hexylacridine

3-hexylacridine (PubChem CID 21394642) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-hexylacridine.

Molecular Properties

Compound Name3-hexylacridine
PubChem CID21394642
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name3-hexylacridine
SMILESCCCCCCc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C19H21N/c1-2-3-4-5-8-15-11-12-17-14-16-9-6-7-10-18(16)20-19(17)13-15/h6-7,9-14H,2-5,8H2,1H3
InChIKeyNLDFCWRKXMEEKR-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

acridine;heptane
CID 158562494
2-octylanthracene
CID 23131226
18-ethyl-7-hexyl-2,11,15-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59467624
ethane;2-hexylnaphthalene
CID 142191207
3-hexoxyacridine
CID 141299786
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
3-pentylphenanthridine
CID 159687285
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
1-octadecylacridine
CID 87175858
1-hexadecylacridine;hydrochloride
CID 172754650

Frequently Asked Questions

What is the IUPAC name of 3-hexylacridine?
The IUPAC name of 3-hexylacridine (CID 21394642) is 3-hexylacridine.
What is the SMILES notation for 3-hexylacridine?
The canonical SMILES for 3-hexylacridine is CCCCCCc1ccc2cc3ccccc3nc2c1.
What is the InChIKey of 3-hexylacridine?
The InChIKey is NLDFCWRKXMEEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-3-4-5-8-15-11-12-17-14-16-9-6-7-10-18(16)20-19(17)13-15/h6-7,9-14H,2-5,8H2,1H3.
What are the key properties of 3-hexylacridine?
3-hexylacridine has a molecular weight of 263.38 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylacridine is sourced from PubChem (CID 21394642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).