3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol

C26H41N3O2 — CID 23467813

IUPAC3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol
SMILESNCCCN(CCCNC(CCc1ccccc1)CCc1ccccc1)CC(O)CO
InChIInChI=1S/C26H41N3O2/c27-17-7-19-29(21-26(31)22-30)20-8-18-28-25(15-13-23-9-3-1-4-10-23)16-14-24-11-5-2-6-12-24/h1-6,9-12,25-26,28,30-31H,7-8,13-22,27H2
InChIKeyAXAUSWGITDIDRL-UHFFFAOYSA-N
MW427.63 g/mol
LogP2.60
Rot. Bonds17

About 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol

3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol (PubChem CID 23467813) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol
PubChem CID23467813
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC Name3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol
SMILESNCCCN(CCCNC(CCc1ccccc1)CCc1ccccc1)CC(O)CO
InChIInChI=1S/C26H41N3O2/c27-17-7-19-29(21-26(31)22-30)20-8-18-28-25(15-13-23-9-3-1-4-10-23)16-14-24-11-5-2-6-12-24/h1-6,9-12,25-26,28,30-31H,7-8,13-22,27H2
InChIKeyAXAUSWGITDIDRL-UHFFFAOYSA-N
XLogP2.60
TPSA81.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 52.60
H-Bond Donors ≤ 54
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 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol?
The IUPAC name of 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol (CID 23467813) is 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol is NCCCN(CCCNC(CCc1ccccc1)CCc1ccccc1)CC(O)CO.
What is the InChIKey of 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol?
The InChIKey is AXAUSWGITDIDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c27-17-7-19-29(21-26(31)22-30)20-8-18-28-25(15-13-23-9-3-1-4-10-23)16-14-24-11-5-2-6-12-24/h1-6,9-12,25-26,28,30-31H,7-8,13-22,27H2.
What are the key properties of 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol?
3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol has a molecular weight of 427.63 g/mol, XLogP of 2.60, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol is sourced from PubChem (CID 23467813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).