2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine

C13H25NO2 — CID 79856841

IUPAC2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine
SMILESCC1(C)CCC(OCC2CCCCO2)C1N
InChIInChI=1S/C13H25NO2/c1-13(2)7-6-11(12(13)14)16-9-10-5-3-4-8-15-10/h10-12H,3-9,14H2,1-2H3
InChIKeyKZGFYHRXECOSRA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds3

About 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine

2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine (PubChem CID 79856841) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine
PubChem CID79856841
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine
SMILESCC1(C)CCC(OCC2CCCCO2)C1N
InChIInChI=1S/C13H25NO2/c1-13(2)7-6-11(12(13)14)16-9-10-5-3-4-8-15-10/h10-12H,3-9,14H2,1-2H3
InChIKeyKZGFYHRXECOSRA-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine
CID 114032274
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxane
CID 66345728
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-ol
CID 114032146
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
CID 62806705
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
CID 43184028
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
ethyl 3-iodo-4-(oxan-2-ylmethoxy)cyclopentane-1-carboxylate
CID 114772682

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine (CID 79856841) is 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine is CC1(C)CCC(OCC2CCCCO2)C1N.
What is the InChIKey of 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine?
The InChIKey is KZGFYHRXECOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)7-6-11(12(13)14)16-9-10-5-3-4-8-15-10/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine?
2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine is sourced from PubChem (CID 79856841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).