1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine

C10H20N2O — CID 102647770

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine
SMILESCNC(CN(C)C)C1=CCCCO1
InChIInChI=1S/C10H20N2O/c1-11-9(8-12(2)3)10-6-4-5-7-13-10/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyJGXDQVINIQEKTL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.83
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine

1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine (PubChem CID 102647770) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine
PubChem CID102647770
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine
SMILESCNC(CN(C)C)C1=CCCCO1
InChIInChI=1S/C10H20N2O/c1-11-9(8-12(2)3)10-6-4-5-7-13-10/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyJGXDQVINIQEKTL-UHFFFAOYSA-N
XLogP0.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68111938
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CID 90815987
CID 90815987
CID 121364158
CID 121364158
CID 123446575
CID 123446575
CID 123930931
CID 123930931
CID 126663258
CID 126663258
CID 126745797
CID 126745797
CID 126745829
CID 126745829
CID 143810615
CID 143810615

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine (CID 102647770) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine is CNC(CN(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is JGXDQVINIQEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-9(8-12(2)3)10-6-4-5-7-13-10/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 102647770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).