4-methoxypent-4-en-1-amine

C6H13NO — CID 89344047

IUPAC4-methoxypent-4-en-1-amine
SMILESC=C(CCCN)OC
InChIInChI=1S/C6H13NO/c1-6(8-2)4-3-5-7/h1,3-5,7H2,2H3
InChIKeyQSGFWEWGQALJFM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.89
Rot. Bonds4

About 4-methoxypent-4-en-1-amine

4-methoxypent-4-en-1-amine (PubChem CID 89344047) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-methoxypent-4-en-1-amine.

Molecular Properties

Compound Name4-methoxypent-4-en-1-amine
PubChem CID89344047
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-methoxypent-4-en-1-amine
SMILESC=C(CCCN)OC
InChIInChI=1S/C6H13NO/c1-6(8-2)4-3-5-7/h1,3-5,7H2,2H3
InChIKeyQSGFWEWGQALJFM-UHFFFAOYSA-N
XLogP0.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypent-4-en-1-amine?
The IUPAC name of 4-methoxypent-4-en-1-amine (CID 89344047) is 4-methoxypent-4-en-1-amine.
What is the SMILES notation for 4-methoxypent-4-en-1-amine?
The canonical SMILES for 4-methoxypent-4-en-1-amine is C=C(CCCN)OC.
What is the InChIKey of 4-methoxypent-4-en-1-amine?
The InChIKey is QSGFWEWGQALJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8-2)4-3-5-7/h1,3-5,7H2,2H3.
What are the key properties of 4-methoxypent-4-en-1-amine?
4-methoxypent-4-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-4-en-1-amine is sourced from PubChem (CID 89344047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).