[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine

C12H23NO2 — CID 54424507

IUPAC[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine
SMILESC[C@H]1OC(CN)(C2CCCCC2)O[C@@H]1C
InChIInChI=1S/C12H23NO2/c1-9-10(2)15-12(8-13,14-9)11-6-4-3-5-7-11/h9-11H,3-8,13H2,1-2H3/t9-,10-/m1/s1
InChIKeyWDCUNXRXDCCNAH-NXEZZACHSA-N
MW213.32 g/mol
LogP2.05
Rot. Bonds2

About [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine

[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine (PubChem CID 54424507) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine
PubChem CID54424507
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine
SMILESC[C@H]1OC(CN)(C2CCCCC2)O[C@@H]1C
InChIInChI=1S/C12H23NO2/c1-9-10(2)15-12(8-13,14-9)11-6-4-3-5-7-11/h9-11H,3-8,13H2,1-2H3/t9-,10-/m1/s1
InChIKeyWDCUNXRXDCCNAH-NXEZZACHSA-N
XLogP2.05
TPSA44.48 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine (CID 54424507) is [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine is C[C@H]1OC(CN)(C2CCCCC2)O[C@@H]1C.
What is the InChIKey of [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine?
The InChIKey is WDCUNXRXDCCNAH-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-10(2)15-12(8-13,14-9)11-6-4-3-5-7-11/h9-11H,3-8,13H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine?
[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 54424507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).