N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine

C13H25NO2 — CID 62443251

IUPACN-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESC=CCCOCC1CCC(CNCCC)O1
InChIInChI=1S/C13H25NO2/c1-3-5-9-15-11-13-7-6-12(16-13)10-14-8-4-2/h3,12-14H,1,4-11H2,2H3
InChIKeyFSVXRCDNVFAVAP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds9

About N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62443251) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62443251
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESC=CCCOCC1CCC(CNCCC)O1
InChIInChI=1S/C13H25NO2/c1-3-5-9-15-11-13-7-6-12(16-13)10-14-8-4-2/h3,12-14H,1,4-11H2,2H3
InChIKeyFSVXRCDNVFAVAP-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
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-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62443251) is N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine is C=CCCOCC1CCC(CNCCC)O1.
What is the InChIKey of N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is FSVXRCDNVFAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-9-15-11-13-7-6-12(16-13)10-14-8-4-2/h3,12-14H,1,4-11H2,2H3.
What are the key properties of N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62443251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).