acridine;heptane

C20H25N — CID 158562494

IUPACacridine;heptane
SMILESCCCCCCC.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C7H16/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-5-7-6-4-2/h1-9H;3-7H2,1-2H3
InChIKeyHRBDKLNNZHOLKJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.36
Rot. Bonds4

About acridine;heptane

acridine;heptane (PubChem CID 158562494) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is acridine;heptane.

Molecular Properties

Compound Nameacridine;heptane
PubChem CID158562494
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Nameacridine;heptane
SMILESCCCCCCC.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C7H16/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-5-7-6-4-2/h1-9H;3-7H2,1-2H3
InChIKeyHRBDKLNNZHOLKJ-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.36
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

3-hexylacridine
CID 21394642
3-hexoxyacridine
CID 141299786
acridine;S-ethyl octanethioate
CID 174426267
acridine;ethane
CID 123684759
acridine
CID 21226281
1-octadecylacridine
CID 87175858
1-hexadecylacridine;hydrochloride
CID 172754650
acridine;methane
CID 21324126
acridine;dihydrate
CID 172843020
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;argon
CID 157415582

Frequently Asked Questions

What is the IUPAC name of acridine;heptane?
The IUPAC name of acridine;heptane (CID 158562494) is acridine;heptane.
What is the SMILES notation for acridine;heptane?
The canonical SMILES for acridine;heptane is CCCCCCC.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;heptane?
The InChIKey is HRBDKLNNZHOLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C7H16/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-5-7-6-4-2/h1-9H;3-7H2,1-2H3.
What are the key properties of acridine;heptane?
acridine;heptane has a molecular weight of 279.43 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;heptane is sourced from PubChem (CID 158562494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).