N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine

C26H32N2 — CID 10761844

IUPACN-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C26H32N2/c1(2-5-13-21-14-6-4-7-15-21)3-12-20-27-26-22-16-8-10-18-24(22)28-25-19-11-9-17-23(25)26/h4,6-8,10,14-16,18H,1-3,5,9,11-13,17,19-20H2,(H,27,28)
InChIKeyXBDYBBXKXLDDDL-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.72
Rot. Bonds9

About N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10761844) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10761844
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C26H32N2/c1(2-5-13-21-14-6-4-7-15-21)3-12-20-27-26-22-16-8-10-18-24(22)28-25-19-11-9-17-23(25)26/h4,6-8,10,14-16,18H,1-3,5,9,11-13,17,19-20H2,(H,27,28)
InChIKeyXBDYBBXKXLDDDL-UHFFFAOYSA-N
XLogP6.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.72
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

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-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
N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 166636017
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 11743869
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45262034
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041

Frequently Asked Questions

What is the IUPAC name of N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 10761844) is N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine is c1ccc(CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XBDYBBXKXLDDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1(2-5-13-21-14-6-4-7-15-21)3-12-20-27-26-22-16-8-10-18-24(22)28-25-19-11-9-17-23(25)26/h4,6-8,10,14-16,18H,1-3,5,9,11-13,17,19-20H2,(H,27,28).
What are the key properties of N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 372.56 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10761844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).