5-prop-2-enoxy-N-propylpentan-1-amine

C11H23NO — CID 62440568

IUPAC5-prop-2-enoxy-N-propylpentan-1-amine
SMILESC=CCOCCCCCNCCC
InChIInChI=1S/C11H23NO/c1-3-8-12-9-6-5-7-11-13-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyCXZAJTGHFYMXFJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds10

About 5-prop-2-enoxy-N-propylpentan-1-amine

5-prop-2-enoxy-N-propylpentan-1-amine (PubChem CID 62440568) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-prop-2-enoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-prop-2-enoxy-N-propylpentan-1-amine
PubChem CID62440568
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-prop-2-enoxy-N-propylpentan-1-amine
SMILESC=CCOCCCCCNCCC
InChIInChI=1S/C11H23NO/c1-3-8-12-9-6-5-7-11-13-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyCXZAJTGHFYMXFJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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 5-prop-2-enoxy-N-propylpentan-1-amine?
The IUPAC name of 5-prop-2-enoxy-N-propylpentan-1-amine (CID 62440568) is 5-prop-2-enoxy-N-propylpentan-1-amine.
What is the SMILES notation for 5-prop-2-enoxy-N-propylpentan-1-amine?
The canonical SMILES for 5-prop-2-enoxy-N-propylpentan-1-amine is C=CCOCCCCCNCCC.
What is the InChIKey of 5-prop-2-enoxy-N-propylpentan-1-amine?
The InChIKey is CXZAJTGHFYMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-8-12-9-6-5-7-11-13-10-4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of 5-prop-2-enoxy-N-propylpentan-1-amine?
5-prop-2-enoxy-N-propylpentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-N-propylpentan-1-amine is sourced from PubChem (CID 62440568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).