3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine

C12H23NO2 — CID 87793324

IUPAC3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine
SMILESC=CCOCCCNCCCOCC=C
InChIInChI=1S/C12H23NO2/c1-3-9-14-11-5-7-13-8-6-12-15-10-4-2/h3-4,13H,1-2,5-12H2
InChIKeyXQOSXGNTNUQNFQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.76
Rot. Bonds12

About 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine

3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine (PubChem CID 87793324) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine.

Molecular Properties

Compound Name3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine
PubChem CID87793324
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine
SMILESC=CCOCCCNCCCOCC=C
InChIInChI=1S/C12H23NO2/c1-3-9-14-11-5-7-13-8-6-12-15-10-4-2/h3-4,13H,1-2,5-12H2
InChIKeyXQOSXGNTNUQNFQ-UHFFFAOYSA-N
XLogP1.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.76
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 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine?
The IUPAC name of 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine (CID 87793324) is 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine.
What is the SMILES notation for 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine?
The canonical SMILES for 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine is C=CCOCCCNCCCOCC=C.
What is the InChIKey of 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine?
The InChIKey is XQOSXGNTNUQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-9-14-11-5-7-13-8-6-12-15-10-4-2/h3-4,13H,1-2,5-12H2.
What are the key properties of 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine?
3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine is sourced from PubChem (CID 87793324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).