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

C13H26N2O — CID 102647682

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCNC(C1=CCCCO1)C(C)(C)N(C)C
InChIInChI=1S/C13H26N2O/c1-6-14-12(13(2,3)15(4)5)11-9-7-8-10-16-11/h9,12,14H,6-8,10H2,1-5H3
InChIKeyXTHKEWCULOTXEV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.00
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 102647682) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID102647682
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCNC(C1=CCCCO1)C(C)(C)N(C)C
InChIInChI=1S/C13H26N2O/c1-6-14-12(13(2,3)15(4)5)11-9-7-8-10-16-11/h9,12,14H,6-8,10H2,1-5H3
InChIKeyXTHKEWCULOTXEV-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.00
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)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 102647682) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine is CCNC(C1=CCCCO1)C(C)(C)N(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is XTHKEWCULOTXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-14-12(13(2,3)15(4)5)11-9-7-8-10-16-11/h9,12,14H,6-8,10H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 2.00, 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)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 102647682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).