N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

C20H29N3 — CID 10662852

IUPACN'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESNCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H29N3/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23)
InChIKeyZEYCLUAFGXAMIV-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.43
Rot. Bonds8

About N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (PubChem CID 10662852) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
PubChem CID10662852
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESNCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H29N3/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23)
InChIKeyZEYCLUAFGXAMIV-UHFFFAOYSA-N
XLogP4.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (CID 10662852) is N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The canonical SMILES for N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine is NCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The InChIKey is ZEYCLUAFGXAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23).
What are the key properties of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine has a molecular weight of 311.47 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine is sourced from PubChem (CID 10662852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).