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

C11H22N2O — CID 102647771

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)C1=CCCCO1
InChIInChI=1S/C11H22N2O/c1-4-12-10(9-13(2)3)11-7-5-6-8-14-11/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyITXCLPVCKNFJHQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.22
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine (PubChem CID 102647771) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
PubChem CID102647771
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)C1=CCCCO1
InChIInChI=1S/C11H22N2O/c1-4-12-10(9-13(2)3)11-7-5-6-8-14-11/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyITXCLPVCKNFJHQ-UHFFFAOYSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine (CID 102647771) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ITXCLPVCKNFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-12-10(9-13(2)3)11-7-5-6-8-14-11/h7,10,12H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.22, 5 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-ethyl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 102647771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).