methanamine;4-methyloxane

C7H17NO — CID 139388754

IUPACmethanamine;4-methyloxane
SMILESCC1CCOCC1.CN
InChIInChI=1S/C6H12O.CH5N/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2H2,1H3
InChIKeyKPOKKROWQKETNB-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds

About methanamine;4-methyloxane

methanamine;4-methyloxane (PubChem CID 139388754) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is methanamine;4-methyloxane.

Molecular Properties

Compound Namemethanamine;4-methyloxane
PubChem CID139388754
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Namemethanamine;4-methyloxane
SMILESCC1CCOCC1.CN
InChIInChI=1S/C6H12O.CH5N/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2H2,1H3
InChIKeyKPOKKROWQKETNB-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexane;4-methyloxane
CID 144563977
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951
ethane;4-methyloxane;3-methyloxolane
CID 170734292
ethane;ethene;methanol;4-methyloxane
CID 143101227
(3S)-3-methyloxolane
CID 7857636
ethane;methylcyclohexane;oxane
CID 143182173
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
3-methyloxolane;silyloxysilane
CID 173163882
methane;methylcyclobutane;3-methyloxolane
CID 160852925
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
oxan-4-amine;pentakis(yttrium)
CID 158916020

Frequently Asked Questions

What is the IUPAC name of methanamine;4-methyloxane?
The IUPAC name of methanamine;4-methyloxane (CID 139388754) is methanamine;4-methyloxane.
What is the SMILES notation for methanamine;4-methyloxane?
The canonical SMILES for methanamine;4-methyloxane is CC1CCOCC1.CN.
What is the InChIKey of methanamine;4-methyloxane?
The InChIKey is KPOKKROWQKETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.CH5N/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2H2,1H3.
What are the key properties of methanamine;4-methyloxane?
methanamine;4-methyloxane has a molecular weight of 131.22 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-methyloxane is sourced from PubChem (CID 139388754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).