1-(pentan-2-yloxymethyl)cyclohexan-1-amine

C12H25NO — CID 107891879

IUPAC1-(pentan-2-yloxymethyl)cyclohexan-1-amine
SMILESCCCC(C)OCC1(N)CCCCC1
InChIInChI=1S/C12H25NO/c1-3-7-11(2)14-10-12(13)8-5-4-6-9-12/h11H,3-10,13H2,1-2H3
InChIKeyOIWLHOZZBPIGGI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds5

About 1-(pentan-2-yloxymethyl)cyclohexan-1-amine

1-(pentan-2-yloxymethyl)cyclohexan-1-amine (PubChem CID 107891879) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(pentan-2-yloxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(pentan-2-yloxymethyl)cyclohexan-1-amine
PubChem CID107891879
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(pentan-2-yloxymethyl)cyclohexan-1-amine
SMILESCCCC(C)OCC1(N)CCCCC1
InChIInChI=1S/C12H25NO/c1-3-7-11(2)14-10-12(13)8-5-4-6-9-12/h11H,3-10,13H2,1-2H3
InChIKeyOIWLHOZZBPIGGI-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methoxymethyl)cyclohexan-1-amine
CID 54594344
2-(Oxan-2-yl)propan-2-amine
CID 83678907
2-Cyclohexyl-2-ethoxyethan-1-amine
CID 66073405
1-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 64565499
1-(2,2,2-Trifluoroethoxymethyl)cyclohexan-1-amine
CID 64571858
1-(2,2-Difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-(2-Fluoroethoxymethyl)cyclohexan-1-amine
CID 80694781
1-(3-Fluoropropoxymethyl)cyclohexan-1-amine
CID 81113045
1-(Oxan-2-yl)cyclobutan-1-amine
CID 115073972
1-(4,4,4-Trifluorobutoxymethyl)cyclohexan-1-amine
CID 115514557
4,4-Difluoro-1-(1-methoxypropyl)cyclohexan-1-amine
CID 165707165
1-[(Tert-butoxy)methyl]-4,4-difluorocyclohexan-1-amine
CID 165709733

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-2-yloxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(pentan-2-yloxymethyl)cyclohexan-1-amine (CID 107891879) is 1-(pentan-2-yloxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(pentan-2-yloxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(pentan-2-yloxymethyl)cyclohexan-1-amine is CCCC(C)OCC1(N)CCCCC1.
What is the InChIKey of 1-(pentan-2-yloxymethyl)cyclohexan-1-amine?
The InChIKey is OIWLHOZZBPIGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-7-11(2)14-10-12(13)8-5-4-6-9-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-(pentan-2-yloxymethyl)cyclohexan-1-amine?
1-(pentan-2-yloxymethyl)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-2-yloxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 107891879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).