N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine

C26H39N3O — CID 54768920

IUPACN-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCCCCCCCN3CCOCC3)c3c(nc2c1)CCCC3
InChIInChI=1S/C26H39N3O/c1(3-5-11-17-29-18-20-30-21-19-29)2-4-10-16-27-26-22-12-6-8-14-24(22)28-25-15-9-7-13-23(25)26/h6,8,12,14H,1-5,7,9-11,13,15-21H2,(H,27,28)
InChIKeyPWPZNYJSIAPFAS-UHFFFAOYSA-N
MW409.62 g/mol
LogP5.59
Rot. Bonds11

About N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 54768920) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID54768920
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC NameN-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCCCCCCCN3CCOCC3)c3c(nc2c1)CCCC3
InChIInChI=1S/C26H39N3O/c1(3-5-11-17-29-18-20-30-21-19-29)2-4-10-16-27-26-22-12-6-8-14-24(22)28-25-15-9-7-13-23(25)26/h6,8,12,14H,1-5,7,9-11,13,15-21H2,(H,27,28)
InChIKeyPWPZNYJSIAPFAS-UHFFFAOYSA-N
XLogP5.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 55.59
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-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
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
1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
CID 67618555
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione
CID 10344005
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776
2-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2-benzoselenazol-3-one
CID 72724700

Frequently Asked Questions

What is the IUPAC name of N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 54768920) is N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCCCCCCCCCN3CCOCC3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is PWPZNYJSIAPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1(3-5-11-17-29-18-20-30-21-19-29)2-4-10-16-27-26-22-12-6-8-14-24(22)28-25-15-9-7-13-23(25)26/h6,8,12,14H,1-5,7,9-11,13,15-21H2,(H,27,28).
What are the key properties of N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 409.62 g/mol, XLogP of 5.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 54768920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).