4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine

C9H20N2O — CID 121202795

IUPAC4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine
SMILESCCOCC1CN(N)CC1(C)C
InChIInChI=1S/C9H20N2O/c1-4-12-6-8-5-11(10)7-9(8,2)3/h8H,4-7,10H2,1-3H3
InChIKeyOCIOPJZBDQANRI-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds3

About 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine

4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine (PubChem CID 121202795) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine.

Molecular Properties

Compound Name4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine
PubChem CID121202795
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine
SMILESCCOCC1CN(N)CC1(C)C
InChIInChI=1S/C9H20N2O/c1-4-12-6-8-5-11(10)7-9(8,2)3/h8H,4-7,10H2,1-3H3
InChIKeyOCIOPJZBDQANRI-UHFFFAOYSA-N
XLogP0.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
CID 121202702
3-(Ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine
CID 121203236
(3S,4R)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
CID 129497379
(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
CID 129497380
(3R,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
CID 129497381
(3R,4R)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
CID 129497383
(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine
CID 129500316
(3S)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine
CID 129500317
3-(Methoxymethyl)pyrrolidin-1-amine
CID 80034233
(3R)-3-(butoxymethyl)pyrrolidin-1-amine
CID 89150613
Ethane;6-oxa-2-azaspiro[3.4]octan-2-amine
CID 144688973
3-(Propan-2-yloxymethyl)pyrrolidin-1-amine
CID 164585125

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine?
The IUPAC name of 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine (CID 121202795) is 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine.
What is the SMILES notation for 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine?
The canonical SMILES for 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine is CCOCC1CN(N)CC1(C)C.
What is the InChIKey of 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine?
The InChIKey is OCIOPJZBDQANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-12-6-8-5-11(10)7-9(8,2)3/h8H,4-7,10H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine?
4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine is sourced from PubChem (CID 121202795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).