N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine

C12H23NO2 — CID 104585340

IUPACN-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCCCC2)CO1
InChIInChI=1S/C12H23NO2/c1-12(2)14-8-11(9-15-12)13-10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyZHWWXPFPNLHSMY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds2

About N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine

N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 104585340) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID104585340
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCCCC2)CO1
InChIInChI=1S/C12H23NO2/c1-12(2)14-8-11(9-15-12)13-10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyZHWWXPFPNLHSMY-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine (CID 104585340) is N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(NC2CCCCC2)CO1.
What is the InChIKey of N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is ZHWWXPFPNLHSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2)14-8-11(9-15-12)13-10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine?
N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 213.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 104585340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).