N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine

C12H23NO2 — CID 79114293

IUPACN-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine
SMILESC=CCCCOCCNCC1CCOC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-7-14-9-6-13-10-12-5-8-15-11-12/h2,12-13H,1,3-11H2
InChIKeyKSXGYBNJBWFSCF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.60
Rot. Bonds9

About N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine

N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine (PubChem CID 79114293) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine
PubChem CID79114293
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine
SMILESC=CCCCOCCNCC1CCOC1
InChIInChI=1S/C12H23NO2/c1-2-3-4-7-14-9-6-13-10-12-5-8-15-11-12/h2,12-13H,1,3-11H2
InChIKeyKSXGYBNJBWFSCF-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine (CID 79114293) is N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine is C=CCCCOCCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine?
The InChIKey is KSXGYBNJBWFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-7-14-9-6-13-10-12-5-8-15-11-12/h2,12-13H,1,3-11H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine?
N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-pent-4-enoxyethanamine is sourced from PubChem (CID 79114293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).