N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine

C24H33N3 — CID 44561364

IUPACN'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
SMILESCCNCCCCNCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H33N3/c1-2-25-14-7-8-15-26-16-9-17-27-19-24-22-12-5-3-10-20(22)18-21-11-4-6-13-23(21)24/h3-6,10-13,18,25-27H,2,7-9,14-17,19H2,1H3
InChIKeyLHJYJYHANSONQU-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.45
Rot. Bonds12

About N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine

N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine (PubChem CID 44561364) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
PubChem CID44561364
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC NameN'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
SMILESCCNCCCCNCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H33N3/c1-2-25-14-7-8-15-26-16-9-17-27-19-24-22-12-5-3-10-20(22)18-21-11-4-6-13-23(21)24/h3-6,10-13,18,25-27H,2,7-9,14-17,19H2,1H3
InChIKeyLHJYJYHANSONQU-UHFFFAOYSA-N
XLogP4.45
TPSA36.09 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 ≤ 54.45
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine?
The IUPAC name of N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine (CID 44561364) is N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine?
The canonical SMILES for N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine is CCNCCCCNCCCNCc1c2ccccc2cc2ccccc12.
What is the InChIKey of N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine?
The InChIKey is LHJYJYHANSONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-2-25-14-7-8-15-26-16-9-17-27-19-24-22-12-5-3-10-20(22)18-21-11-4-6-13-23(21)24/h3-6,10-13,18,25-27H,2,7-9,14-17,19H2,1H3.
What are the key properties of N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine?
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine has a molecular weight of 363.55 g/mol, XLogP of 4.45, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine is sourced from PubChem (CID 44561364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).