[3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine

C12H25NO — CID 62108914

IUPAC[3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine
SMILESCC(C)COC1(CN)CCCC(C)C1
InChIInChI=1S/C12H25NO/c1-10(2)8-14-12(9-13)6-4-5-11(3)7-12/h10-11H,4-9,13H2,1-3H3
InChIKeyOHJFBAHRYPZEQL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds4

About [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine

[3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine (PubChem CID 62108914) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine
PubChem CID62108914
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine
SMILESCC(C)COC1(CN)CCCC(C)C1
InChIInChI=1S/C12H25NO/c1-10(2)8-14-12(9-13)6-4-5-11(3)7-12/h10-11H,4-9,13H2,1-3H3
InChIKeyOHJFBAHRYPZEQL-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine (CID 62108914) is [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine is CC(C)COC1(CN)CCCC(C)C1.
What is the InChIKey of [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine?
The InChIKey is OHJFBAHRYPZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)8-14-12(9-13)6-4-5-11(3)7-12/h10-11H,4-9,13H2,1-3H3.
What are the key properties of [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine?
[3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylpropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62108914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).