2-(2-aminoethylamino)pent-3-en-2-ol

C7H16N2O — CID 54279355

IUPAC2-(2-aminoethylamino)pent-3-en-2-ol
SMILESCC=CC(C)(O)NCCN
InChIInChI=1S/C7H16N2O/c1-3-4-7(2,10)9-6-5-8/h3-4,9-10H,5-6,8H2,1-2H3
InChIKeyRPRTVWAXVUQHIN-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.18
Rot. Bonds4

About 2-(2-aminoethylamino)pent-3-en-2-ol

2-(2-aminoethylamino)pent-3-en-2-ol (PubChem CID 54279355) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(2-aminoethylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name2-(2-aminoethylamino)pent-3-en-2-ol
PubChem CID54279355
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-(2-aminoethylamino)pent-3-en-2-ol
SMILESCC=CC(C)(O)NCCN
InChIInChI=1S/C7H16N2O/c1-3-4-7(2,10)9-6-5-8/h3-4,9-10H,5-6,8H2,1-2H3
InChIKeyRPRTVWAXVUQHIN-UHFFFAOYSA-N
XLogP-0.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)pent-3-en-2-ol?
The IUPAC name of 2-(2-aminoethylamino)pent-3-en-2-ol (CID 54279355) is 2-(2-aminoethylamino)pent-3-en-2-ol.
What is the SMILES notation for 2-(2-aminoethylamino)pent-3-en-2-ol?
The canonical SMILES for 2-(2-aminoethylamino)pent-3-en-2-ol is CC=CC(C)(O)NCCN.
What is the InChIKey of 2-(2-aminoethylamino)pent-3-en-2-ol?
The InChIKey is RPRTVWAXVUQHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-4-7(2,10)9-6-5-8/h3-4,9-10H,5-6,8H2,1-2H3.
What are the key properties of 2-(2-aminoethylamino)pent-3-en-2-ol?
2-(2-aminoethylamino)pent-3-en-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)pent-3-en-2-ol is sourced from PubChem (CID 54279355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).