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

C27H36N4 — CID 10598017

IUPACN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESc1ccc2c(NCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C27H36N4/c1(2-4-10-18-29-22-16-20-28-21-17-22)3-5-11-19-30-27-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)27/h6,8,12,14,16-17,20-21H,1-5,7,9-11,13,15,18-19H2,(H,28,29)(H,30,31)
InChIKeySOARTDIDZFKTKX-UHFFFAOYSA-N
MW416.61 g/mol
LogP6.76
Rot. Bonds12

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

N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 10598017) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID10598017
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESc1ccc2c(NCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C27H36N4/c1(2-4-10-18-29-22-16-20-28-21-17-22)3-5-11-19-30-27-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)27/h6,8,12,14,16-17,20-21H,1-5,7,9-11,13,15,18-19H2,(H,28,29)(H,30,31)
InChIKeySOARTDIDZFKTKX-UHFFFAOYSA-N
XLogP6.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 56.76
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-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The IUPAC name of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 10598017) is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is c1ccc2c(NCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is SOARTDIDZFKTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4/c1(2-4-10-18-29-22-16-20-28-21-17-22)3-5-11-19-30-27-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)27/h6,8,12,14,16-17,20-21H,1-5,7,9-11,13,15,18-19H2,(H,28,29)(H,30,31).
What are the key properties of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 416.61 g/mol, XLogP of 6.76, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is sourced from PubChem (CID 10598017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).