acridine-3-carboxylic acid;decan-1-amine

C24H32N2O2 — CID 161148808

IUPACacridine-3-carboxylic acid;decan-1-amine
SMILESCCCCCCCCCCN.O=C(O)c1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C14H9NO2.C10H23N/c16-14(17)11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;1-2-3-4-5-6-7-8-9-10-11/h1-8H,(H,16,17);2-11H2,1H3
InChIKeyUOKCKYQJZMIOGO-UHFFFAOYSA-N
MW380.53 g/mol
LogP6.17
Rot. Bonds9

About acridine-3-carboxylic acid;decan-1-amine

acridine-3-carboxylic acid;decan-1-amine (PubChem CID 161148808) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is acridine-3-carboxylic acid;decan-1-amine.

Molecular Properties

Compound Nameacridine-3-carboxylic acid;decan-1-amine
PubChem CID161148808
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Nameacridine-3-carboxylic acid;decan-1-amine
SMILESCCCCCCCCCCN.O=C(O)c1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C14H9NO2.C10H23N/c16-14(17)11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;1-2-3-4-5-6-7-8-9-10-11/h1-8H,(H,16,17);2-11H2,1H3
InChIKeyUOKCKYQJZMIOGO-UHFFFAOYSA-N
XLogP6.17
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 acridine-3-carboxylic acid;decan-1-amine?
The IUPAC name of acridine-3-carboxylic acid;decan-1-amine (CID 161148808) is acridine-3-carboxylic acid;decan-1-amine.
What is the SMILES notation for acridine-3-carboxylic acid;decan-1-amine?
The canonical SMILES for acridine-3-carboxylic acid;decan-1-amine is CCCCCCCCCCN.O=C(O)c1ccc2cc3ccccc3nc2c1.
What is the InChIKey of acridine-3-carboxylic acid;decan-1-amine?
The InChIKey is UOKCKYQJZMIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.C10H23N/c16-14(17)11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;1-2-3-4-5-6-7-8-9-10-11/h1-8H,(H,16,17);2-11H2,1H3.
What are the key properties of acridine-3-carboxylic acid;decan-1-amine?
acridine-3-carboxylic acid;decan-1-amine has a molecular weight of 380.53 g/mol, XLogP of 6.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-3-carboxylic acid;decan-1-amine is sourced from PubChem (CID 161148808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).