2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine

C25H51NO2 — CID 18996050

IUPAC2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC1OC(C)(C)OCC1N
InChIInChI=1S/C25H51NO2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-24-23(26)18-27-25(6,7)28-24/h19-24H,8-18,26H2,1-7H3
InChIKeyQVXYILCSXFTJCU-UHFFFAOYSA-N
MW397.69 g/mol
LogP6.93
Rot. Bonds14

About 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine

2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine (PubChem CID 18996050) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine
PubChem CID18996050
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Name2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC1OC(C)(C)OCC1N
InChIInChI=1S/C25H51NO2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-24-23(26)18-27-25(6,7)28-24/h19-24H,8-18,26H2,1-7H3
InChIKeyQVXYILCSXFTJCU-UHFFFAOYSA-N
XLogP6.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine (CID 18996050) is 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine is CC(C)CCCC(C)CCCC(C)CCCC(C)CC1OC(C)(C)OCC1N.
What is the InChIKey of 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine?
The InChIKey is QVXYILCSXFTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-24-23(26)18-27-25(6,7)28-24/h19-24H,8-18,26H2,1-7H3.
What are the key properties of 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine?
2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine has a molecular weight of 397.69 g/mol, XLogP of 6.93, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 18996050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).