3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine

C14H28N2O2 — CID 114119860

IUPAC3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CNC2CC(OC)C2)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-12-8-14(15,13(12,2)3)9-16-10-6-11(7-10)17-4/h10-12,16H,5-9,15H2,1-4H3
InChIKeyCZGIBILWZJELAY-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds6

About 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114119860) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114119860
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CNC2CC(OC)C2)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-12-8-14(15,13(12,2)3)9-16-10-6-11(7-10)17-4/h10-12,16H,5-9,15H2,1-4H3
InChIKeyCZGIBILWZJELAY-UHFFFAOYSA-N
XLogP1.29
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114830821
3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 103534678
3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830783
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 114830457
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
N-[(2,2-dimethylcyclopropyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871472
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830648
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine (CID 114119860) is 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CNC2CC(OC)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is CZGIBILWZJELAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-12-8-14(15,13(12,2)3)9-16-10-6-11(7-10)17-4/h10-12,16H,5-9,15H2,1-4H3.
What are the key properties of 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114119860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).