2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine

C12H23NO2 — CID 117170087

IUPAC2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
SMILESCC1(C2CCCCC2)OCC(CCN)O1
InChIInChI=1S/C12H23NO2/c1-12(10-5-3-2-4-6-10)14-9-11(15-12)7-8-13/h10-11H,2-9,13H2,1H3
InChIKeyZXQCSOLDIZQGNC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.05
Rot. Bonds3

About 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine

2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 117170087) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
PubChem CID117170087
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
SMILESCC1(C2CCCCC2)OCC(CCN)O1
InChIInChI=1S/C12H23NO2/c1-12(10-5-3-2-4-6-10)14-9-11(15-12)7-8-13/h10-11H,2-9,13H2,1H3
InChIKeyZXQCSOLDIZQGNC-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168838
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091
2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168845
[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 117169010
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117169026
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128
2-(5-cyclobutyl-5-methyloxolan-2-yl)ethanamine
CID 130690656
3-[2-methyl-2-(oxan-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168507
[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 117168815
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine (CID 117170087) is 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine is CC1(C2CCCCC2)OCC(CCN)O1.
What is the InChIKey of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is ZXQCSOLDIZQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(10-5-3-2-4-6-10)14-9-11(15-12)7-8-13/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine?
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 117170087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).