3-methoxy-2-pent-4-enoxypropan-1-amine

C9H19NO2 — CID 103228846

IUPAC3-methoxy-2-pent-4-enoxypropan-1-amine
SMILESC=CCCCOC(CN)COC
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-12-9(7-10)8-11-2/h3,9H,1,4-8,10H2,2H3
InChIKeyYZWJKMBBKXJOBM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.94
Rot. Bonds8

About 3-methoxy-2-pent-4-enoxypropan-1-amine

3-methoxy-2-pent-4-enoxypropan-1-amine (PubChem CID 103228846) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methoxy-2-pent-4-enoxypropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-pent-4-enoxypropan-1-amine
PubChem CID103228846
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-methoxy-2-pent-4-enoxypropan-1-amine
SMILESC=CCCCOC(CN)COC
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-12-9(7-10)8-11-2/h3,9H,1,4-8,10H2,2H3
InChIKeyYZWJKMBBKXJOBM-UHFFFAOYSA-N
XLogP0.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.94
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-methoxy-2-pent-4-enoxypropan-1-amine?
The IUPAC name of 3-methoxy-2-pent-4-enoxypropan-1-amine (CID 103228846) is 3-methoxy-2-pent-4-enoxypropan-1-amine.
What is the SMILES notation for 3-methoxy-2-pent-4-enoxypropan-1-amine?
The canonical SMILES for 3-methoxy-2-pent-4-enoxypropan-1-amine is C=CCCCOC(CN)COC.
What is the InChIKey of 3-methoxy-2-pent-4-enoxypropan-1-amine?
The InChIKey is YZWJKMBBKXJOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-12-9(7-10)8-11-2/h3,9H,1,4-8,10H2,2H3.
What are the key properties of 3-methoxy-2-pent-4-enoxypropan-1-amine?
3-methoxy-2-pent-4-enoxypropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-pent-4-enoxypropan-1-amine is sourced from PubChem (CID 103228846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).