N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine

C13H25NO — CID 103272932

IUPACN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine
SMILESC/C=C/COC1(CCNCCC)CCC1
InChIInChI=1S/C13H25NO/c1-3-5-12-15-13(7-6-8-13)9-11-14-10-4-2/h3,5,14H,4,6-12H2,1-2H3/b5-3+
InChIKeyPHVFLQSESUDMEL-HWKANZROSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds8

About N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine

N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine (PubChem CID 103272932) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine
PubChem CID103272932
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine
SMILESC/C=C/COC1(CCNCCC)CCC1
InChIInChI=1S/C13H25NO/c1-3-5-12-15-13(7-6-8-13)9-11-14-10-4-2/h3,5,14H,4,6-12H2,1-2H3/b5-3+
InChIKeyPHVFLQSESUDMEL-HWKANZROSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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 N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine (CID 103272932) is N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine is C/C=C/COC1(CCNCCC)CCC1.
What is the InChIKey of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
The InChIKey is PHVFLQSESUDMEL-HWKANZROSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-12-15-13(7-6-8-13)9-11-14-10-4-2/h3,5,14H,4,6-12H2,1-2H3/b5-3+.
What are the key properties of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103272932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).