2-pent-4-enoxypropan-1-amine

C8H17NO — CID 79113805

IUPAC2-pent-4-enoxypropan-1-amine
SMILESC=CCCCOC(C)CN
InChIInChI=1S/C8H17NO/c1-3-4-5-6-10-8(2)7-9/h3,8H,1,4-7,9H2,2H3
InChIKeyXKTZLIBMVUITEO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 2-pent-4-enoxypropan-1-amine

2-pent-4-enoxypropan-1-amine (PubChem CID 79113805) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-pent-4-enoxypropan-1-amine.

Molecular Properties

Compound Name2-pent-4-enoxypropan-1-amine
PubChem CID79113805
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-pent-4-enoxypropan-1-amine
SMILESC=CCCCOC(C)CN
InChIInChI=1S/C8H17NO/c1-3-4-5-6-10-8(2)7-9/h3,8H,1,4-7,9H2,2H3
InChIKeyXKTZLIBMVUITEO-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
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 2-pent-4-enoxypropan-1-amine?
The IUPAC name of 2-pent-4-enoxypropan-1-amine (CID 79113805) is 2-pent-4-enoxypropan-1-amine.
What is the SMILES notation for 2-pent-4-enoxypropan-1-amine?
The canonical SMILES for 2-pent-4-enoxypropan-1-amine is C=CCCCOC(C)CN.
What is the InChIKey of 2-pent-4-enoxypropan-1-amine?
The InChIKey is XKTZLIBMVUITEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-10-8(2)7-9/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 2-pent-4-enoxypropan-1-amine?
2-pent-4-enoxypropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxypropan-1-amine is sourced from PubChem (CID 79113805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).