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

C7H15NO — CID 12700139

IUPACN-methyl-1-(oxan-3-yl)methanamine
SMILESCNCC1CCCOC1
InChIInChI=1S/C7H15NO/c1-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
InChIKeySFDNBVAIWWHHQN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds2

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

N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 12700139) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)methanamine
PubChem CID12700139
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-methyl-1-(oxan-3-yl)methanamine
SMILESCNCC1CCCOC1
InChIInChI=1S/C7H15NO/c1-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
InChIKeySFDNBVAIWWHHQN-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)methanamine (CID 12700139) is N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)methanamine is CNCC1CCCOC1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is SFDNBVAIWWHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3.
What are the key properties of N-methyl-1-(oxan-3-yl)methanamine?
N-methyl-1-(oxan-3-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-3-yl)methanamine is sourced from PubChem (CID 12700139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).