1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H24N2O — CID 62066896

IUPAC1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C12H24N2O/c1-12(2,14(3)4)10-13-9-11-7-5-6-8-15-11/h6,8,11,13H,5,7,9-10H2,1-4H3
InChIKeyQFUIEIVQPRINDR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.61
Rot. Bonds5

About 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 62066896) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID62066896
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C12H24N2O/c1-12(2,14(3)4)10-13-9-11-7-5-6-8-15-11/h6,8,11,13H,5,7,9-10H2,1-4H3
InChIKeyQFUIEIVQPRINDR-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 62066896) is 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCC1CCC=CO1.
What is the InChIKey of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is QFUIEIVQPRINDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,14(3)4)10-13-9-11-7-5-6-8-15-11/h6,8,11,13H,5,7,9-10H2,1-4H3.
What are the key properties of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 62066896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).