3-but-3-enoxypropan-1-amine

C7H15NO — CID 62440747

IUPAC3-but-3-enoxypropan-1-amine
SMILESC=CCCOCCCN
InChIInChI=1S/C7H15NO/c1-2-3-6-9-7-4-5-8/h2H,1,3-8H2
InChIKeyNJQFPULWYYLEBC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds6

About 3-but-3-enoxypropan-1-amine

3-but-3-enoxypropan-1-amine (PubChem CID 62440747) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-but-3-enoxypropan-1-amine.

Molecular Properties

Compound Name3-but-3-enoxypropan-1-amine
PubChem CID62440747
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-but-3-enoxypropan-1-amine
SMILESC=CCCOCCCN
InChIInChI=1S/C7H15NO/c1-2-3-6-9-7-4-5-8/h2H,1,3-8H2
InChIKeyNJQFPULWYYLEBC-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-but-3-enoxypropan-1-amine?
The IUPAC name of 3-but-3-enoxypropan-1-amine (CID 62440747) is 3-but-3-enoxypropan-1-amine.
What is the SMILES notation for 3-but-3-enoxypropan-1-amine?
The canonical SMILES for 3-but-3-enoxypropan-1-amine is C=CCCOCCCN.
What is the InChIKey of 3-but-3-enoxypropan-1-amine?
The InChIKey is NJQFPULWYYLEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-6-9-7-4-5-8/h2H,1,3-8H2.
What are the key properties of 3-but-3-enoxypropan-1-amine?
3-but-3-enoxypropan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxypropan-1-amine is sourced from PubChem (CID 62440747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).