4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine

C12H25NO — CID 43127803

IUPAC4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine
SMILESCCC(C)(C)OC1CC(C)CCC1N
InChIInChI=1S/C12H25NO/c1-5-12(3,4)14-11-8-9(2)6-7-10(11)13/h9-11H,5-8,13H2,1-4H3
InChIKeyWZXIMSUVHHPIMC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds3

About 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine

4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine (PubChem CID 43127803) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine
PubChem CID43127803
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine
SMILESCCC(C)(C)OC1CC(C)CCC1N
InChIInChI=1S/C12H25NO/c1-5-12(3,4)14-11-8-9(2)6-7-10(11)13/h9-11H,5-8,13H2,1-4H3
InChIKeyWZXIMSUVHHPIMC-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine (CID 43127803) is 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine is CCC(C)(C)OC1CC(C)CCC1N.
What is the InChIKey of 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine?
The InChIKey is WZXIMSUVHHPIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(3,4)14-11-8-9(2)6-7-10(11)13/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine?
4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylbutan-2-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 43127803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).