1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane

C26H41N3O2 — CID 23467813

IUPAC3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol
SMILESC1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)NCCCN(CCCN)CC(CO)O
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
MW427.60 g/mol
LogP3.00
Rot. Bonds17

About 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane

1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane (PubChem CID 23467813) has the molecular formula C26H41N3O2 and a molecular weight of 427.60 g/mol. Its IUPAC name is 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane
PubChem CID23467813
Molecular FormulaC26H41N3O2
Molecular Weight427.60 g/mol
Exact Mass427.32
IUPAC Name3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol
SMILESC1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)NCCCN(CCCN)CC(CO)O
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
XLogP3.00
TPSA81.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity389

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 53.00
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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Related Compounds

CID 14201550
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CID 21595423
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CID 73292087
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CID 73351949
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CID 76311251
CID 76311251
CID 76318455
CID 76318455
CID 76329324
CID 76329324
CID 9859994
CID 9859994
CID 60890
CID 60890
CID 24792592
CID 24792592
CID 43167849
CID 43167849
CID 76322133
CID 76322133

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane?
The IUPAC name of 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane (CID 23467813) is 3-[3-aminopropyl-[3-(1,5-diphenylpentan-3-ylamino)propyl]amino]propane-1,2-diol.
What is the SMILES notation for 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane?
The canonical SMILES for 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane is C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)NCCCN(CCCN)CC(CO)O.
What is the InChIKey of 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane?
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 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane?
1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane has a molecular weight of 427.60 g/mol, XLogP of 3.00, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-Di-(phenyl)-3-pentyl]-5-(2,3-dihydroxypropyl)-1,5,9-triazanonane is sourced from PubChem (CID 23467813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).