N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine

C18H27NO — CID 103273311

IUPACN-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OC/C=C/c2ccccc2)CCC1
InChIInChI=1S/C18H27NO/c1-2-14-19-15-13-18(11-7-12-18)20-16-6-10-17-8-4-3-5-9-17/h3-6,8-10,19H,2,7,11-16H2,1H3/b10-6+
InChIKeyUBIYNSWCPBKVJP-UXBLZVDNSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds9

About N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine

N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273311) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine
PubChem CID103273311
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OC/C=C/c2ccccc2)CCC1
InChIInChI=1S/C18H27NO/c1-2-14-19-15-13-18(11-7-12-18)20-16-6-10-17-8-4-3-5-9-17/h3-6,8-10,19H,2,7,11-16H2,1H3/b10-6+
InChIKeyUBIYNSWCPBKVJP-UXBLZVDNSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine (CID 103273311) is N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(OC/C=C/c2ccccc2)CCC1.
What is the InChIKey of N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
The InChIKey is UBIYNSWCPBKVJP-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-14-19-15-13-18(11-7-12-18)20-16-6-10-17-8-4-3-5-9-17/h3-6,8-10,19H,2,7,11-16H2,1H3/b10-6+.
What are the key properties of N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).