5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine

C13H27NO — CID 62443239

IUPAC5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine
SMILESC=CCCOCCCCCNCC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-10-15-11-8-6-7-9-14-12-13(2)3/h4,13-14H,1,5-12H2,2-3H3
InChIKeyJMXGJFSEQGQZKT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds11

About 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine

5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62443239) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine
PubChem CID62443239
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine
SMILESC=CCCOCCCCCNCC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-10-15-11-8-6-7-9-14-12-13(2)3/h4,13-14H,1,5-12H2,2-3H3
InChIKeyJMXGJFSEQGQZKT-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine (CID 62443239) is 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine is C=CCCOCCCCCNCC(C)C.
What is the InChIKey of 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is JMXGJFSEQGQZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-10-15-11-8-6-7-9-14-12-13(2)3/h4,13-14H,1,5-12H2,2-3H3.
What are the key properties of 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine?
5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62443239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).