3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one

C12H23NO2 — CID 123177813

IUPAC3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one
SMILESCOC(C)(CCN)CC1CCCC(=O)C1
InChIInChI=1S/C12H23NO2/c1-12(15-2,6-7-13)9-10-4-3-5-11(14)8-10/h10H,3-9,13H2,1-2H3
InChIKeyODMSMEPVMNGMMP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.89
Rot. Bonds5

About 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one

3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one (PubChem CID 123177813) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one
PubChem CID123177813
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one
SMILESCOC(C)(CCN)CC1CCCC(=O)C1
InChIInChI=1S/C12H23NO2/c1-12(15-2,6-7-13)9-10-4-3-5-11(14)8-10/h10H,3-9,13H2,1-2H3
InChIKeyODMSMEPVMNGMMP-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one?
The IUPAC name of 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one (CID 123177813) is 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one.
What is the SMILES notation for 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one?
The canonical SMILES for 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one is COC(C)(CCN)CC1CCCC(=O)C1.
What is the InChIKey of 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one?
The InChIKey is ODMSMEPVMNGMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(15-2,6-7-13)9-10-4-3-5-11(14)8-10/h10H,3-9,13H2,1-2H3.
What are the key properties of 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one?
3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxy-2-methylbutyl)cyclohexan-1-one is sourced from PubChem (CID 123177813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).