N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine

C11H23NO2 — CID 62444755

IUPACN-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine
SMILESCNCC1CCC(COCC(C)C)O1
InChIInChI=1S/C11H23NO2/c1-9(2)7-13-8-11-5-4-10(14-11)6-12-3/h9-12H,4-8H2,1-3H3
InChIKeyVEMOPVRRUSXYND-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds6

About N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine

N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine (PubChem CID 62444755) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine
PubChem CID62444755
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine
SMILESCNCC1CCC(COCC(C)C)O1
InChIInChI=1S/C11H23NO2/c1-9(2)7-13-8-11-5-4-10(14-11)6-12-3/h9-12H,4-8H2,1-3H3
InChIKeyVEMOPVRRUSXYND-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine (CID 62444755) is N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine is CNCC1CCC(COCC(C)C)O1.
What is the InChIKey of N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is VEMOPVRRUSXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)7-13-8-11-5-4-10(14-11)6-12-3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine?
N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62444755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).