2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine

C12H23NO — CID 62598166

IUPAC2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCC1
InChIInChI=1S/C12H23NO/c1-2-3-9-14-10-8-13-11-12-6-4-5-7-12/h2,12-13H,1,3-11H2
InChIKeyFSXIVOABDMRHFP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds8

About 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine

2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine (PubChem CID 62598166) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine
PubChem CID62598166
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCC1
InChIInChI=1S/C12H23NO/c1-2-3-9-14-10-8-13-11-12-6-4-5-7-12/h2,12-13H,1,3-11H2
InChIKeyFSXIVOABDMRHFP-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
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 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine (CID 62598166) is 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine is C=CCCOCCNCC1CCCC1.
What is the InChIKey of 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine?
The InChIKey is FSXIVOABDMRHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-9-14-10-8-13-11-12-6-4-5-7-12/h2,12-13H,1,3-11H2.
What are the key properties of 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine?
2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine is sourced from PubChem (CID 62598166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).