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

C22H33N3 — CID 10521068

IUPACN'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESNCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)
InChIKeyBMSMAYYXXZZRQN-UHFFFAOYSA-N
MW339.53 g/mol
LogP5.21
Rot. Bonds10

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

N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 10521068) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID10521068
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC NameN'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESNCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)
InChIKeyBMSMAYYXXZZRQN-UHFFFAOYSA-N
XLogP5.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.53
LogP ≤ 55.21
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)nonane-1,9-diamine?
The IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 10521068) is N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is NCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is BMSMAYYXXZZRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25).
What are the key properties of N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 339.53 g/mol, XLogP of 5.21, 10 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)nonane-1,9-diamine is sourced from PubChem (CID 10521068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).