(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol

C14H28N2O2 — CID 174315288

IUPAC(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol
SMILESC/C=C/C(NCCO)C(O)C1CCC(CCC)N1
InChIInChI=1S/C14H28N2O2/c1-3-5-11-7-8-13(16-11)14(18)12(6-4-2)15-9-10-17/h4,6,11-18H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyNDCPOMKEAHNSGC-GQCTYLIASA-N
MW256.39 g/mol
LogP0.79
Rot. Bonds8

About (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol

(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol (PubChem CID 174315288) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol
PubChem CID174315288
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol
SMILESC/C=C/C(NCCO)C(O)C1CCC(CCC)N1
InChIInChI=1S/C14H28N2O2/c1-3-5-11-7-8-13(16-11)14(18)12(6-4-2)15-9-10-17/h4,6,11-18H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyNDCPOMKEAHNSGC-GQCTYLIASA-N
XLogP0.79
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol?
The IUPAC name of (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol (CID 174315288) is (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol.
What is the SMILES notation for (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol?
The canonical SMILES for (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol is C/C=C/C(NCCO)C(O)C1CCC(CCC)N1.
What is the InChIKey of (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol?
The InChIKey is NDCPOMKEAHNSGC-GQCTYLIASA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-11-7-8-13(16-11)14(18)12(6-4-2)15-9-10-17/h4,6,11-18H,3,5,7-10H2,1-2H3/b6-4+.
What are the key properties of (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol?
(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol is sourced from PubChem (CID 174315288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).