2-pent-4-enoxybutan-1-amine

C9H19NO — CID 79115070

IUPAC2-pent-4-enoxybutan-1-amine
SMILESC=CCCCOC(CC)CN
InChIInChI=1S/C9H19NO/c1-3-5-6-7-11-9(4-2)8-10/h3,9H,1,4-8,10H2,2H3
InChIKeyFHFHCWNEZRUOTP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds7

About 2-pent-4-enoxybutan-1-amine

2-pent-4-enoxybutan-1-amine (PubChem CID 79115070) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-pent-4-enoxybutan-1-amine.

Molecular Properties

Compound Name2-pent-4-enoxybutan-1-amine
PubChem CID79115070
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-pent-4-enoxybutan-1-amine
SMILESC=CCCCOC(CC)CN
InChIInChI=1S/C9H19NO/c1-3-5-6-7-11-9(4-2)8-10/h3,9H,1,4-8,10H2,2H3
InChIKeyFHFHCWNEZRUOTP-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
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-enoxybutan-1-amine?
The IUPAC name of 2-pent-4-enoxybutan-1-amine (CID 79115070) is 2-pent-4-enoxybutan-1-amine.
What is the SMILES notation for 2-pent-4-enoxybutan-1-amine?
The canonical SMILES for 2-pent-4-enoxybutan-1-amine is C=CCCCOC(CC)CN.
What is the InChIKey of 2-pent-4-enoxybutan-1-amine?
The InChIKey is FHFHCWNEZRUOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-6-7-11-9(4-2)8-10/h3,9H,1,4-8,10H2,2H3.
What are the key properties of 2-pent-4-enoxybutan-1-amine?
2-pent-4-enoxybutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxybutan-1-amine is sourced from PubChem (CID 79115070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).