3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine

C10H23N3O — CID 63694328

IUPAC3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
SMILESCN(C)CCN(C)C1COCCC1N
InChIInChI=1S/C10H23N3O/c1-12(2)5-6-13(3)10-8-14-7-4-9(10)11/h9-10H,4-8,11H2,1-3H3
InChIKeyOXLUMNOGIHSCOV-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.40
Rot. Bonds4

About 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine

3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine (PubChem CID 63694328) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
PubChem CID63694328
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
SMILESCN(C)CCN(C)C1COCCC1N
InChIInChI=1S/C10H23N3O/c1-12(2)5-6-13(3)10-8-14-7-4-9(10)11/h9-10H,4-8,11H2,1-3H3
InChIKeyOXLUMNOGIHSCOV-UHFFFAOYSA-N
XLogP-0.40
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine (CID 63694328) is 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine is CN(C)CCN(C)C1COCCC1N.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine?
The InChIKey is OXLUMNOGIHSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-12(2)5-6-13(3)10-8-14-7-4-9(10)11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine?
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine has a molecular weight of 201.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine is sourced from PubChem (CID 63694328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).