N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine

C13H27NO2 — CID 79856249

IUPACN,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
SMILESCNC1C(OCCOC(C)C)CCC1(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)15-8-9-16-11-6-7-13(3,4)12(11)14-5/h10-12,14H,6-9H2,1-5H3
InChIKeyWRKBHEAEBIMGLA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.20
Rot. Bonds6

About N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine

N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine (PubChem CID 79856249) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
PubChem CID79856249
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
SMILESCNC1C(OCCOC(C)C)CCC1(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)15-8-9-16-11-6-7-13(3,4)12(11)14-5/h10-12,14H,6-9H2,1-5H3
InChIKeyWRKBHEAEBIMGLA-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine (CID 79856249) is N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine is CNC1C(OCCOC(C)C)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine?
The InChIKey is WRKBHEAEBIMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)15-8-9-16-11-6-7-13(3,4)12(11)14-5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine?
N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine is sourced from PubChem (CID 79856249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).