N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine

C35H44N4 — CID 11800131

IUPACN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESc1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)
InChIKeyXCTLFKXGBMSLLN-UHFFFAOYSA-N
MW520.77 g/mol
LogP8.80
Rot. Bonds12

About N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 11800131) has the molecular formula C35H44N4 and a molecular weight of 520.77 g/mol. Its IUPAC name is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID11800131
Molecular FormulaC35H44N4
Molecular Weight520.77 g/mol
Exact Mass520.36
IUPAC NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESc1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)
InChIKeyXCTLFKXGBMSLLN-UHFFFAOYSA-N
XLogP8.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.77
LogP ≤ 58.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 11800131) is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is c1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is XCTLFKXGBMSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39).
What are the key properties of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 520.77 g/mol, XLogP of 8.80, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is sourced from PubChem (CID 11800131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).