N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine

C11H21NO2 — CID 65330243

IUPACN-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
SMILESCNC(C1CCOCC1)C1CCOC1
InChIInChI=1S/C11H21NO2/c1-12-11(10-4-7-14-8-10)9-2-5-13-6-3-9/h9-12H,2-8H2,1H3
InChIKeyIXLVHNGCWPZJSW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine

N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine (PubChem CID 65330243) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
PubChem CID65330243
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
SMILESCNC(C1CCOCC1)C1CCOC1
InChIInChI=1S/C11H21NO2/c1-12-11(10-4-7-14-8-10)9-2-5-13-6-3-9/h9-12H,2-8H2,1H3
InChIKeyIXLVHNGCWPZJSW-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330300
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine
CID 65414174
1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65410427
1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330302
N-methyl-1-(2-methylcyclopropyl)-1-(oxan-4-yl)methanamine
CID 65421926
N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115856404
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65410719
N-methyl-1-(4-methylmorpholin-2-yl)-1-(oxolan-3-yl)methanamine
CID 79092863
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine (CID 65330243) is N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine is CNC(C1CCOCC1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine?
The InChIKey is IXLVHNGCWPZJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12-11(10-4-7-14-8-10)9-2-5-13-6-3-9/h9-12H,2-8H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine?
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65330243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).