1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

C14H28N2O — CID 102647684

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)C1=CCCCO1
InChIInChI=1S/C14H28N2O/c1-6-16(7-2)14(3,4)13(15-5)12-10-8-9-11-17-12/h10,13,15H,6-9,11H2,1-5H3
InChIKeyOJVWAMAZGCAIHG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.39
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 102647684) 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)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID102647684
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)C1=CCCCO1
InChIInChI=1S/C14H28N2O/c1-6-16(7-2)14(3,4)13(15-5)12-10-8-9-11-17-12/h10,13,15H,6-9,11H2,1-5H3
InChIKeyOJVWAMAZGCAIHG-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (CID 102647684) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is CCN(CC)C(C)(C)C(NC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is OJVWAMAZGCAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-16(7-2)14(3,4)13(15-5)12-10-8-9-11-17-12/h10,13,15H,6-9,11H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.39, 6 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)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 102647684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).