2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine

C18H27NO2 — CID 104585329

IUPAC2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCC(c3ccccc3)CC2)CO1
InChIInChI=1S/C18H27NO2/c1-18(2)20-12-17(13-21-18)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,15-17,19H,8-13H2,1-2H3
InChIKeyKYYSQOSRYXDFFT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds3

About 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine (PubChem CID 104585329) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
PubChem CID104585329
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCC(c3ccccc3)CC2)CO1
InChIInChI=1S/C18H27NO2/c1-18(2)20-12-17(13-21-18)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,15-17,19H,8-13H2,1-2H3
InChIKeyKYYSQOSRYXDFFT-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
CID 113429645
benzene;cyclopropylbenzene
CID 144638417
N-(4-phenylcyclohexyl)azepan-4-amine
CID 103981014
N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
CID 64908026
1,2-dimethyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 81297051
2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
CID 102672829
2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,3-dioxan-5-amine
CID 106658207
2-ethyl-N-(4-phenylcyclohexyl)cyclohexan-1-amine
CID 43434154
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
[(4-phenylcyclohexyl)amino] acetate
CID 91400059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine (CID 104585329) is 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine is CC1(C)OCC(NC2CCC(c3ccccc3)CC2)CO1.
What is the InChIKey of 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine?
The InChIKey is KYYSQOSRYXDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2)20-12-17(13-21-18)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,15-17,19H,8-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine has a molecular weight of 289.42 g/mol, XLogP of 3.45, 3 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-phenylcyclohexyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 104585329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).