N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine

C29H38N2O2 — CID 166636017

IUPACN-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1cc(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1
InChIInChI=1S/C29H38N2O2/c1-32-23-19-22(20-24(21-23)33-2)13-7-5-3-4-6-12-18-30-29-25-14-8-10-16-27(25)31-28-17-11-9-15-26(28)29/h8,10,14,16,19-21H,3-7,9,11-13,15,17-18H2,1-2H3,(H,30,31)
InChIKeyLXPPUCDCZRFXKD-UHFFFAOYSA-N
MW446.64 g/mol
LogP7.13
Rot. Bonds12

About N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 166636017) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID166636017
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1cc(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1
InChIInChI=1S/C29H38N2O2/c1-32-23-19-22(20-24(21-23)33-2)13-7-5-3-4-6-12-18-30-29-25-14-8-10-16-27(25)31-28-17-11-9-15-26(28)29/h8,10,14,16,19-21H,3-7,9,11-13,15,17-18H2,1-2H3,(H,30,31)
InChIKeyLXPPUCDCZRFXKD-UHFFFAOYSA-N
XLogP7.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689

Frequently Asked Questions

What is the IUPAC name of N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 166636017) is N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1cc(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1.
What is the InChIKey of N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LXPPUCDCZRFXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-32-23-19-22(20-24(21-23)33-2)13-7-5-3-4-6-12-18-30-29-25-14-8-10-16-27(25)31-28-17-11-9-15-26(28)29/h8,10,14,16,19-21H,3-7,9,11-13,15,17-18H2,1-2H3,(H,30,31).
What are the key properties of N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 446.64 g/mol, XLogP of 7.13, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 166636017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).