1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine

C11H23NO2 — CID 62907290

IUPAC1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CCCOC)CCOCC1
InChIInChI=1S/C11H23NO2/c1-12-10-11(4-3-7-13-2)5-8-14-9-6-11/h12H,3-10H2,1-2H3
InChIKeyAOMITBFGTLBZSR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds6

About 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine

1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine (PubChem CID 62907290) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
PubChem CID62907290
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CCCOC)CCOCC1
InChIInChI=1S/C11H23NO2/c1-12-10-11(4-3-7-13-2)5-8-14-9-6-11/h12H,3-10H2,1-2H3
InChIKeyAOMITBFGTLBZSR-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

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62905226
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
N-ethyl-1-methoxy-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 62390798
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
CID 62717865
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104649526
N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62904892
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine (CID 62907290) is 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine is CNCC1(CCCOC)CCOCC1.
What is the InChIKey of 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine?
The InChIKey is AOMITBFGTLBZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-12-10-11(4-3-7-13-2)5-8-14-9-6-11/h12H,3-10H2,1-2H3.
What are the key properties of 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine?
1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine 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 1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62907290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).