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

C7H15NO — CID 22225668

IUPACN-methyl-1-(oxan-4-yl)methanamine
SMILESCNCC1CCOCC1
InChIInChI=1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
InChIKeyWMBCUXKYKVTJRF-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds2

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

N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 22225668) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)methanamine
PubChem CID22225668
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-methyl-1-(oxan-4-yl)methanamine
SMILESCNCC1CCOCC1
InChIInChI=1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
InChIKeyWMBCUXKYKVTJRF-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
oxan-4-ylmethylhydrazine
CID 53415127
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
CID 63708065
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
CID 115758099
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)methanamine (CID 22225668) is N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)methanamine is CNCC1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is WMBCUXKYKVTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)methanamine?
N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 22225668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).