N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine

C19H27N3 — CID 11645075

IUPACN'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
SMILESNCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)
InChIKeyVDSDQAGBQNPBFH-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.04
Rot. Bonds7

About N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine

N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine (PubChem CID 11645075) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
PubChem CID11645075
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
SMILESNCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)
InChIKeyVDSDQAGBQNPBFH-UHFFFAOYSA-N
XLogP4.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.04
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)hexane-1,6-diamine?
The IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine (CID 11645075) is N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine is NCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
The InChIKey is VDSDQAGBQNPBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22).
What are the key properties of N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine has a molecular weight of 297.45 g/mol, XLogP of 4.04, 7 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)hexane-1,6-diamine is sourced from PubChem (CID 11645075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).