1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine

C12H25NO3 — CID 115486754

IUPAC1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine
SMILESCCOC(COCC1(N)CCCC1)OCC
InChIInChI=1S/C12H25NO3/c1-3-15-11(16-4-2)9-14-10-12(13)7-5-6-8-12/h11H,3-10,13H2,1-2H3
InChIKeyUQHPTJAIDNQIOT-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.67
Rot. Bonds8

About 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine

1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine (PubChem CID 115486754) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine
PubChem CID115486754
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine
SMILESCCOC(COCC1(N)CCCC1)OCC
InChIInChI=1S/C12H25NO3/c1-3-15-11(16-4-2)9-14-10-12(13)7-5-6-8-12/h11H,3-10,13H2,1-2H3
InChIKeyUQHPTJAIDNQIOT-UHFFFAOYSA-N
XLogP1.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1-Aminocyclopentyl)methoxy]propan-2-yloxymethyl]cyclopentan-1-amine
CID 137411603
1-[1-[(1-Aminocyclopentyl)methoxy]ethoxymethyl]cyclopentan-1-amine
CID 137411624
1-(2-Methoxyethoxymethyl)cyclopentan-1-amine
CID 64571590
1-(2-Butoxyethoxymethyl)cyclopentan-1-amine
CID 64571608
1-{[2-(3-Methylbutoxy)ethoxy]methyl}cyclopentan-1-amine
CID 64571820
1-[2-(2-Methoxyethoxy)ethoxymethyl]cyclopentan-1-amine
CID 64573529
1-(2-Ethoxyethoxymethyl)cyclopentan-1-amine
CID 64574597
(1-Aminocyclopentyl)methyl ethyl carbonate
CID 79338258
1-[2-(3-Methoxypropoxy)ethoxymethyl]cyclopentan-1-amine
CID 103180988
1-[3-(2-Methoxyethoxy)propoxymethyl]cyclopentan-1-amine
CID 103410590
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine
CID 104564413
1-(2-Propoxyethoxymethyl)cyclopentan-1-amine
CID 106454305

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine (CID 115486754) is 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine is CCOC(COCC1(N)CCCC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine?
The InChIKey is UQHPTJAIDNQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-15-11(16-4-2)9-14-10-12(13)7-5-6-8-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine?
1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 115486754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).