1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine

C15H30N2O — CID 102647685

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
SMILESCCNC(C1=CCCCO1)C(C)(C)N(CC)CC
InChIInChI=1S/C15H30N2O/c1-6-16-14(13-11-9-10-12-18-13)15(4,5)17(7-2)8-3/h11,14,16H,6-10,12H2,1-5H3
InChIKeyASZPVZXLOILOAW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.78
Rot. Bonds7

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

1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine (PubChem CID 102647685) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
PubChem CID102647685
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
SMILESCCNC(C1=CCCCO1)C(C)(C)N(CC)CC
InChIInChI=1S/C15H30N2O/c1-6-16-14(13-11-9-10-12-18-13)15(4,5)17(7-2)8-3/h11,14,16H,6-10,12H2,1-5H3
InChIKeyASZPVZXLOILOAW-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.78
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,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine (CID 102647685) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine is CCNC(C1=CCCCO1)C(C)(C)N(CC)CC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
The InChIKey is ASZPVZXLOILOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-16-14(13-11-9-10-12-18-13)15(4,5)17(7-2)8-3/h11,14,16H,6-10,12H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.78, 7 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,2-N,2-N-triethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 102647685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).