N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine

C11H24N2O2 — CID 106658058

IUPACN-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1COC(C)(C)OC1
InChIInChI=1S/C11H24N2O2/c1-11(2)14-8-10(9-15-11)12-6-5-7-13(3)4/h10,12H,5-9H2,1-4H3
InChIKeyJAFPRWJWAUZGQW-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.68
Rot. Bonds5

About N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 106658058) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID106658058
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1COC(C)(C)OC1
InChIInChI=1S/C11H24N2O2/c1-11(2)14-8-10(9-15-11)12-6-5-7-13(3)4/h10,12H,5-9H2,1-4H3
InChIKeyJAFPRWJWAUZGQW-UHFFFAOYSA-N
XLogP0.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine (CID 106658058) is N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1COC(C)(C)OC1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is JAFPRWJWAUZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2)14-8-10(9-15-11)12-6-5-7-13(3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106658058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).