(2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine

C13H25NO2 — CID 19781985

IUPAC(2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine
SMILESCC1(C)COC(CN)(C2CCCCC2)OC1
InChIInChI=1S/C13H25NO2/c1-12(2)9-15-13(8-14,16-10-12)11-6-4-3-5-7-11/h11H,3-10,14H2,1-2H3
InChIKeyWFROMBPHQZELHN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.29
Rot. Bonds2

About (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine

(2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine (PubChem CID 19781985) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine
PubChem CID19781985
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine
SMILESCC1(C)COC(CN)(C2CCCCC2)OC1
InChIInChI=1S/C13H25NO2/c1-12(2)9-15-13(8-14,16-10-12)11-6-4-3-5-7-11/h11H,3-10,14H2,1-2H3
InChIKeyWFROMBPHQZELHN-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine?
The IUPAC name of (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine (CID 19781985) is (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine.
What is the SMILES notation for (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine?
The canonical SMILES for (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine is CC1(C)COC(CN)(C2CCCCC2)OC1.
What is the InChIKey of (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine?
The InChIKey is WFROMBPHQZELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)9-15-13(8-14,16-10-12)11-6-4-3-5-7-11/h11H,3-10,14H2,1-2H3.
What are the key properties of (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine?
(2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine has a molecular weight of 227.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-5,5-dimethyl-1,3-dioxan-2-yl)methanamine is sourced from PubChem (CID 19781985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).