(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine

C12H23NO — CID 97358044

IUPAC(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
SMILESC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C12H23NO/c1-9-5-3-4-6-11(9)13-12-7-8-14-10(12)2/h9-13H,3-8H2,1-2H3/t9-,10-,11+,12-/m1/s1
InChIKeyIFJGLBJNEWMJTD-WISYIIOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds2

About (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine

(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine (PubChem CID 97358044) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
PubChem CID97358044
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
SMILESC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C12H23NO/c1-9-5-3-4-6-11(9)13-12-7-8-14-10(12)2/h9-13H,3-8H2,1-2H3/t9-,10-,11+,12-/m1/s1
InChIKeyIFJGLBJNEWMJTD-WISYIIOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine (CID 97358044) is (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine is C[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine?
The InChIKey is IFJGLBJNEWMJTD-WISYIIOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-3-4-6-11(9)13-12-7-8-14-10(12)2/h9-13H,3-8H2,1-2H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine?
(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine is sourced from PubChem (CID 97358044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).