N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine

C24H33N3 — CID 10406428

IUPACN-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
SMILESNCCCCNCCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H33N3/c25-14-6-9-16-26-15-7-1-8-17-27-19-24-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)24/h2-5,10-13,18,26-27H,1,6-9,14-17,19,25H2
InChIKeyOQHFEZBPEPFPNE-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.58
Rot. Bonds12

About N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine

N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine (PubChem CID 10406428) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
PubChem CID10406428
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC NameN-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
SMILESNCCCCNCCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H33N3/c25-14-6-9-16-26-15-7-1-8-17-27-19-24-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)24/h2-5,10-13,18,26-27H,1,6-9,14-17,19,25H2
InChIKeyOQHFEZBPEPFPNE-UHFFFAOYSA-N
XLogP4.58
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine (CID 10406428) is N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine is NCCCCNCCCCCNCc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine?
The InChIKey is OQHFEZBPEPFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c25-14-6-9-16-26-15-7-1-8-17-27-19-24-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)24/h2-5,10-13,18,26-27H,1,6-9,14-17,19,25H2.
What are the key properties of N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine?
N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine has a molecular weight of 363.55 g/mol, XLogP of 4.58, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 10406428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).