3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine

C14H28N2O2 — CID 103534678

IUPAC3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(OC)C2)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-12-8-14(15,13(12,2)3)10-16-7-6-11(9-16)17-4/h11-12H,5-10,15H2,1-4H3
InChIKeyLCXGVAVBYOGTSZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.24
Rot. Bonds5

About 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 103534678) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID103534678
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(OC)C2)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-12-8-14(15,13(12,2)3)10-16-7-6-11(9-16)17-4/h11-12H,5-10,15H2,1-4H3
InChIKeyLCXGVAVBYOGTSZ-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830648
3-ethoxy-1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 106587370
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674
1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830560
1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 103534745
1-[(2,5-dimethylpiperidin-1-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830668
3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114119860
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 107456220
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methoxypiperidin-1-yl)methanone
CID 105055857

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine (CID 103534678) is 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN2CCC(OC)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is LCXGVAVBYOGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-12-8-14(15,13(12,2)3)10-16-7-6-11(9-16)17-4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103534678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).