2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine

C12H23NO2 — CID 62598873

IUPAC2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESC=CCCOC(C)CNCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-3-4-7-14-11(2)9-13-10-12-6-5-8-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyNPHHPPINPVWMNS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

About 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine

2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62598873) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62598873
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESC=CCCOC(C)CNCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-3-4-7-14-11(2)9-13-10-12-6-5-8-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyNPHHPPINPVWMNS-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62598873) is 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine is C=CCCOC(C)CNCC1CCCO1.
What is the InChIKey of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is NPHHPPINPVWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-7-14-11(2)9-13-10-12-6-5-8-15-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62598873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).