N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine

C33H41N5 — CID 10481357

IUPACN'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine
SMILESCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37)
InChIKeyDYTNXFSVOOZIHV-UHFFFAOYSA-N
MW507.73 g/mol
LogP6.78
Rot. Bonds10

About N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine

N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine (PubChem CID 10481357) has the molecular formula C33H41N5 and a molecular weight of 507.73 g/mol. Its IUPAC name is N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine
PubChem CID10481357
Molecular FormulaC33H41N5
Molecular Weight507.73 g/mol
Exact Mass507.34
IUPAC NameN'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine
SMILESCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37)
InChIKeyDYTNXFSVOOZIHV-UHFFFAOYSA-N
XLogP6.78
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.73
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine (CID 10481357) is N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine is CN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine?
The InChIKey is DYTNXFSVOOZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37).
What are the key properties of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine?
N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine has a molecular weight of 507.73 g/mol, XLogP of 6.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 10481357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).