1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H24N2O — CID 115674343

IUPAC1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1=CCCOC1
InChIInChI=1S/C12H24N2O/c1-12(2,14(3)4)10-13-8-11-6-5-7-15-9-11/h6,13H,5,7-10H2,1-4H3
InChIKeyHTOGJXJKUBISKF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds5

About 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115674343) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115674343
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1=CCCOC1
InChIInChI=1S/C12H24N2O/c1-12(2,14(3)4)10-13-8-11-6-5-7-15-9-11/h6,13H,5,7-10H2,1-4H3
InChIKeyHTOGJXJKUBISKF-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 115674343) is 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCC1=CCCOC1.
What is the InChIKey of 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is HTOGJXJKUBISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,14(3)4)10-13-8-11-6-5-7-15-9-11/h6,13H,5,7-10H2,1-4H3.
What are the key properties of 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115674343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).