N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H25NO2 — CID 115856404

IUPACN-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(C1CCOC1)C1C(C)OC(C)C1C
InChIInChI=1S/C13H25NO2/c1-8-9(2)16-10(3)12(8)13(14-4)11-5-6-15-7-11/h8-14H,5-7H2,1-4H3
InChIKeyGZOPPORBEULVDW-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine

N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 115856404) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID115856404
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(C1CCOC1)C1C(C)OC(C)C1C
InChIInChI=1S/C13H25NO2/c1-8-9(2)16-10(3)12(8)13(14-4)11-5-6-15-7-11/h8-14H,5-7H2,1-4H3
InChIKeyGZOPPORBEULVDW-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[oxolan-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105306627
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330300
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine
CID 65414174
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65410427
[cyclohexyl-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105282121
N-methyl-1-(4-methylmorpholin-2-yl)-1-(oxolan-3-yl)methanamine
CID 79092863
1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330302
N-methyl-1-(2-methylcyclopropyl)-1-(oxan-4-yl)methanamine
CID 65421926
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 115856404) is N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(C1CCOC1)C1C(C)OC(C)C1C.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is GZOPPORBEULVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-8-9(2)16-10(3)12(8)13(14-4)11-5-6-15-7-11/h8-14H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 227.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 115856404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).