3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol

C13H26N2O3 — CID 87785627

IUPAC3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol
SMILESC=CC(CCO)NCC(O)CNC(C=C)CCO
InChIInChI=1S/C13H26N2O3/c1-3-11(5-7-16)14-9-13(18)10-15-12(4-2)6-8-17/h3-4,11-18H,1-2,5-10H2
InChIKeyVUDAWHPZDWTXIC-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.60
Rot. Bonds12

About 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol

3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol (PubChem CID 87785627) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol
PubChem CID87785627
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol
SMILESC=CC(CCO)NCC(O)CNC(C=C)CCO
InChIInChI=1S/C13H26N2O3/c1-3-11(5-7-16)14-9-13(18)10-15-12(4-2)6-8-17/h3-4,11-18H,1-2,5-10H2
InChIKeyVUDAWHPZDWTXIC-UHFFFAOYSA-N
XLogP-0.60
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol (CID 87785627) is 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol is C=CC(CCO)NCC(O)CNC(C=C)CCO.
What is the InChIKey of 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol?
The InChIKey is VUDAWHPZDWTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-11(5-7-16)14-9-13(18)10-15-12(4-2)6-8-17/h3-4,11-18H,1-2,5-10H2.
What are the key properties of 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol?
3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol has a molecular weight of 258.36 g/mol, XLogP of -0.60, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(5-hydroxypent-1-en-3-ylamino)propyl]amino]pent-4-en-1-ol is sourced from PubChem (CID 87785627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).