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

C13H26N2O — CID 115674330

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCC1=CCCOC1
InChIInChI=1S/C13H26N2O/c1-13(2,11-15(3)4)10-14-8-12-6-5-7-16-9-12/h6,14H,5,7-11H2,1-4H3
InChIKeyVKFAAGVHVAQCIA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.51
Rot. Bonds6

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 115674330) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID115674330
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCC1=CCCOC1
InChIInChI=1S/C13H26N2O/c1-13(2,11-15(3)4)10-14-8-12-6-5-7-16-9-12/h6,14H,5,7-11H2,1-4H3
InChIKeyVKFAAGVHVAQCIA-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.51
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 N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 115674330) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is VKFAAGVHVAQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,11-15(3)4)10-14-8-12-6-5-7-16-9-12/h6,14H,5,7-11H2,1-4H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 115674330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).