1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine

C22H33N3 — CID 3056293

IUPAC1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H33N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6,8,12,14,17H,4-5,7,9-11,13,15-16H2,1-3H3,(H,23,24)
InChIKeyWJYJFKUYTXDTAR-UHFFFAOYSA-N
MW339.53 g/mol
LogP5.04
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine (PubChem CID 3056293) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine
PubChem CID3056293
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H33N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6,8,12,14,17H,4-5,7,9-11,13,15-16H2,1-3H3,(H,23,24)
InChIKeyWJYJFKUYTXDTAR-UHFFFAOYSA-N
XLogP5.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine (CID 3056293) is 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine?
The InChIKey is WJYJFKUYTXDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6,8,12,14,17H,4-5,7,9-11,13,15-16H2,1-3H3,(H,23,24).
What are the key properties of 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine has a molecular weight of 339.53 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine is sourced from PubChem (CID 3056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).