N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

C11H24N2O2 — CID 79651959

IUPACN'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC1CCOCO1)CC(C)(C)CN
InChIInChI=1S/C11H24N2O2/c1-11(2,7-12)8-13(3)6-10-4-5-14-9-15-10/h10H,4-9,12H2,1-3H3
InChIKeyZHLMLCMBHLHKLD-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.67
Rot. Bonds5

About N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79651959) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79651959
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC1CCOCO1)CC(C)(C)CN
InChIInChI=1S/C11H24N2O2/c1-11(2,7-12)8-13(3)6-10-4-5-14-9-15-10/h10H,4-9,12H2,1-3H3
InChIKeyZHLMLCMBHLHKLD-UHFFFAOYSA-N
XLogP0.67
TPSA47.72 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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine (CID 79651959) is N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine is CN(CC1CCOCO1)CC(C)(C)CN.
What is the InChIKey of N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is ZHLMLCMBHLHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,7-12)8-13(3)6-10-4-5-14-9-15-10/h10H,4-9,12H2,1-3H3.
What are the key properties of N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dioxan-4-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79651959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).