2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine

C17H33NO2 — CID 106658207

IUPAC2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine
SMILESCCC(C)(C)C1CCC(NC2COC(C)(C)OC2)CC1
InChIInChI=1S/C17H33NO2/c1-6-16(2,3)13-7-9-14(10-8-13)18-15-11-19-17(4,5)20-12-15/h13-15,18H,6-12H2,1-5H3
InChIKeyBARNFDVQLNRYIN-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.72
Rot. Bonds4

About 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine

2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine (PubChem CID 106658207) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine
PubChem CID106658207
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine
SMILESCCC(C)(C)C1CCC(NC2COC(C)(C)OC2)CC1
InChIInChI=1S/C17H33NO2/c1-6-16(2,3)13-7-9-14(10-8-13)18-15-11-19-17(4,5)20-12-15/h13-15,18H,6-12H2,1-5H3
InChIKeyBARNFDVQLNRYIN-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine (CID 106658207) is 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine is CCC(C)(C)C1CCC(NC2COC(C)(C)OC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine?
The InChIKey is BARNFDVQLNRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-16(2,3)13-7-9-14(10-8-13)18-15-11-19-17(4,5)20-12-15/h13-15,18H,6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine has a molecular weight of 283.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 106658207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).