3-(methylaminomethyl)oxolan-3-amine

C6H14N2O — CID 64893451

IUPAC3-(methylaminomethyl)oxolan-3-amine
SMILESCNCC1(N)CCOC1
InChIInChI=1S/C6H14N2O/c1-8-4-6(7)2-3-9-5-6/h8H,2-5,7H2,1H3
InChIKeyHEXVCYAUNXSBMM-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.68
Rot. Bonds2

About 3-(methylaminomethyl)oxolan-3-amine

3-(methylaminomethyl)oxolan-3-amine (PubChem CID 64893451) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(methylaminomethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)oxolan-3-amine
PubChem CID64893451
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-(methylaminomethyl)oxolan-3-amine
SMILESCNCC1(N)CCOC1
InChIInChI=1S/C6H14N2O/c1-8-4-6(7)2-3-9-5-6/h8H,2-5,7H2,1H3
InChIKeyHEXVCYAUNXSBMM-UHFFFAOYSA-N
XLogP-0.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)oxolan-3-amine?
The IUPAC name of 3-(methylaminomethyl)oxolan-3-amine (CID 64893451) is 3-(methylaminomethyl)oxolan-3-amine.
What is the SMILES notation for 3-(methylaminomethyl)oxolan-3-amine?
The canonical SMILES for 3-(methylaminomethyl)oxolan-3-amine is CNCC1(N)CCOC1.
What is the InChIKey of 3-(methylaminomethyl)oxolan-3-amine?
The InChIKey is HEXVCYAUNXSBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-4-6(7)2-3-9-5-6/h8H,2-5,7H2,1H3.
What are the key properties of 3-(methylaminomethyl)oxolan-3-amine?
3-(methylaminomethyl)oxolan-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)oxolan-3-amine is sourced from PubChem (CID 64893451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).