1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol

C11H23NO2 — CID 163563193

IUPAC1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol
SMILESC/C=C/C(C)N(CC(C)O)CC(C)O
InChIInChI=1S/C11H23NO2/c1-5-6-9(2)12(7-10(3)13)8-11(4)14/h5-6,9-11,13-14H,7-8H2,1-4H3/b6-5+
InChIKeyFSZZRDPNZQEDRY-AATRIKPKSA-N
MW201.31 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol

1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol (PubChem CID 163563193) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol
PubChem CID163563193
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol
SMILESC/C=C/C(C)N(CC(C)O)CC(C)O
InChIInChI=1S/C11H23NO2/c1-5-6-9(2)12(7-10(3)13)8-11(4)14/h5-6,9-11,13-14H,7-8H2,1-4H3/b6-5+
InChIKeyFSZZRDPNZQEDRY-AATRIKPKSA-N
XLogP1.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol (CID 163563193) is 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol is C/C=C/C(C)N(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol?
The InChIKey is FSZZRDPNZQEDRY-AATRIKPKSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-9(2)12(7-10(3)13)8-11(4)14/h5-6,9-11,13-14H,7-8H2,1-4H3/b6-5+.
What are the key properties of 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol?
1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol is sourced from PubChem (CID 163563193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).