N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine

C11H23NO2 — CID 103227787

IUPACN-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)OCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)7-14-11(8-13-3)6-12-10-4-5-10/h9-12H,4-8H2,1-3H3
InChIKeyGDUCNTJGOSXMKY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds8

About N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine

N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine (PubChem CID 103227787) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
PubChem CID103227787
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)OCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)7-14-11(8-13-3)6-12-10-4-5-10/h9-12H,4-8H2,1-3H3
InChIKeyGDUCNTJGOSXMKY-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine (CID 103227787) is N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine is COCC(CNC1CC1)OCC(C)C.
What is the InChIKey of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
The InChIKey is GDUCNTJGOSXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)7-14-11(8-13-3)6-12-10-4-5-10/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine is sourced from PubChem (CID 103227787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).