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

C13H23NO — CID 103272935

IUPACN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine
SMILESC/C=C/COC1(CCNC2CC2)CCC1
InChIInChI=1S/C13H23NO/c1-2-3-11-15-13(7-4-8-13)9-10-14-12-5-6-12/h2-3,12,14H,4-11H2,1H3/b3-2+
InChIKeyNDNKTHYJBPXWDZ-NSCUHMNNSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103272935) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine
PubChem CID103272935
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine
SMILESC/C=C/COC1(CCNC2CC2)CCC1
InChIInChI=1S/C13H23NO/c1-2-3-11-15-13(7-4-8-13)9-10-14-12-5-6-12/h2-3,12,14H,4-11H2,1H3/b3-2+
InChIKeyNDNKTHYJBPXWDZ-NSCUHMNNSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]cyclopropanamine?
The IUPAC name of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine (CID 103272935) is N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine is C/C=C/COC1(CCNC2CC2)CCC1.
What is the InChIKey of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is NDNKTHYJBPXWDZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-11-15-13(7-4-8-13)9-10-14-12-5-6-12/h2-3,12,14H,4-11H2,1H3/b3-2+.
What are the key properties of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 7 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]cyclopropanamine is sourced from PubChem (CID 103272935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).