N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine

C19H28N2O2 — CID 134430085

IUPACN-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine
SMILESCC/C=C(/NC1CNC1)C1CC(Oc2cc(C)ccc2OC)C1
InChIInChI=1S/C19H28N2O2/c1-4-5-17(21-15-11-20-12-15)14-9-16(10-14)23-19-8-13(2)6-7-18(19)22-3/h5-8,14-16,20-21H,4,9-12H2,1-3H3/b17-5+
InChIKeyZHZMINSFUSXDKT-YAXRCOADSA-N
MW316.45 g/mol
LogP3.02
Rot. Bonds7

About N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine

N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine (PubChem CID 134430085) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine
PubChem CID134430085
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine
SMILESCC/C=C(/NC1CNC1)C1CC(Oc2cc(C)ccc2OC)C1
InChIInChI=1S/C19H28N2O2/c1-4-5-17(21-15-11-20-12-15)14-9-16(10-14)23-19-8-13(2)6-7-18(19)22-3/h5-8,14-16,20-21H,4,9-12H2,1-3H3/b17-5+
InChIKeyZHZMINSFUSXDKT-YAXRCOADSA-N
XLogP3.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine?
The IUPAC name of N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine (CID 134430085) is N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine.
What is the SMILES notation for N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine?
The canonical SMILES for N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine is CC/C=C(/NC1CNC1)C1CC(Oc2cc(C)ccc2OC)C1.
What is the InChIKey of N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine?
The InChIKey is ZHZMINSFUSXDKT-YAXRCOADSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-5-17(21-15-11-20-12-15)14-9-16(10-14)23-19-8-13(2)6-7-18(19)22-3/h5-8,14-16,20-21H,4,9-12H2,1-3H3/b17-5+.
What are the key properties of N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine?
N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine has a molecular weight of 316.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine is sourced from PubChem (CID 134430085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).