N-butyl-1,2,3,4-tetrahydroacridin-9-amine

C17H22N2 — CID 9423

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IUPACN-butyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H22N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,18,19)
InChIKeyZFPNOTAGQWNERF-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.33
Rot. Bonds4

About N-butyl-1,2,3,4-tetrahydroacridin-9-amine

N-butyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 9423) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-butyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-butyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID9423
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-butyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H22N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,18,19)
InChIKeyZFPNOTAGQWNERF-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Proflavine
CID 7099
Acridine
CID 9215
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
Ethidium Bromide
CID 14710
2-Methylquinoline
CID 7060
9-Aminoacridine hydrochloride
CID 8643

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-butyl-1,2,3,4-tetrahydroacridin-9-amine (CID 9423) is N-butyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-butyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-butyl-1,2,3,4-tetrahydroacridin-9-amine is CCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-butyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is ZFPNOTAGQWNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,18,19).
What are the key properties of N-butyl-1,2,3,4-tetrahydroacridin-9-amine?
N-butyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 254.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 9423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).