N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine

C33H42N4 — CID 135921141

IUPACN-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESC1=CC2NC3=C(CCCC3)/C(=N/CCCCCCCNc3c4c(nc5ccccc35)CCCC4)C2C=C1
InChIInChI=1S/C33H42N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20,24,28,36H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,35,37)/b34-32+
InChIKeyXIORSHWFXQKUNH-NWBJSICCSA-N
MW494.73 g/mol
LogP7.46
Rot. Bonds9

About N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 135921141) has the molecular formula C33H42N4 and a molecular weight of 494.73 g/mol. Its IUPAC name is N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID135921141
Molecular FormulaC33H42N4
Molecular Weight494.73 g/mol
Exact Mass494.34
IUPAC NameN-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESC1=CC2NC3=C(CCCC3)/C(=N/CCCCCCCNc3c4c(nc5ccccc35)CCCC4)C2C=C1
InChIInChI=1S/C33H42N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20,24,28,36H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,35,37)/b34-32+
InChIKeyXIORSHWFXQKUNH-NWBJSICCSA-N
XLogP7.46
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.73
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 135921141) is N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine is C1=CC2NC3=C(CCCC3)/C(=N/CCCCCCCNc3c4c(nc5ccccc35)CCCC4)C2C=C1.
What is the InChIKey of N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XIORSHWFXQKUNH-NWBJSICCSA-N. The full InChI is InChI=1S/C33H42N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20,24,28,36H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,35,37)/b34-32+.
What are the key properties of N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 494.73 g/mol, XLogP of 7.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,3,4,8a,10,10a-hexahydro-1H-acridin-9-ylideneamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 135921141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).