N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

C20H28N2O — CID 52941983

IUPACN-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2
InChIInChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)
InChIKeyFHJNAXWWTVBTEP-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.11
Rot. Bonds7

About N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 52941983) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID52941983
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2
InChIInChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)
InChIKeyFHJNAXWWTVBTEP-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(+-)-Quinacrine
CID 237
Ibogaine
CID 197060
Quinacrine Dihydrochloride
CID 6239
Ethacridine
CID 2017
6-Chloro-2-methoxy-9-acridinamine
CID 19080
Pinoline
CID 1868
Acridine mustard
CID 8971
Ibogaine hydrochloride
CID 197059
2,3,4,9-Tetrahydro-6-methoxy-1-methyl-1H-pyrido(3,4-b)indole
CID 71028
Quinacrine dihydrochloride dihydrate
CID 2725002
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610

Frequently Asked Questions

What is the IUPAC name of N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (CID 52941983) is N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2.
What is the InChIKey of N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is FHJNAXWWTVBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22).
What are the key properties of N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 312.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 52941983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).