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

C14H28N2O — CID 102647764

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)C1=CCCCO1
InChIInChI=1S/C14H28N2O/c1-4-15-13(10-11-16(5-2)6-3)14-9-7-8-12-17-14/h9,13,15H,4-8,10-12H2,1-3H3
InChIKeyTUDOIYBZHQTAKX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.39
Rot. Bonds8

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

1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 102647764) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID102647764
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)C1=CCCCO1
InChIInChI=1S/C14H28N2O/c1-4-15-13(10-11-16(5-2)6-3)14-9-7-8-12-17-14/h9,13,15H,4-8,10-12H2,1-3H3
InChIKeyTUDOIYBZHQTAKX-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
CID 102647493
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine (CID 102647764) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is TUDOIYBZHQTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-15-13(10-11-16(5-2)6-3)14-9-7-8-12-17-14/h9,13,15H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.39, 8 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'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102647764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).