trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine

C11H23NO — CID 95781902

IUPACtrans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](NC)C1(CC)CC
InChIInChI=1S/C11H23NO/c1-5-11(6-2)9(12-4)8-10(11)13-7-3/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyOBFBZFQVRPRNHC-NXEZZACHSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine

trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine (PubChem CID 95781902) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
PubChem CID95781902
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](NC)C1(CC)CC
InChIInChI=1S/C11H23NO/c1-5-11(6-2)9(12-4)8-10(11)13-7-3/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyOBFBZFQVRPRNHC-NXEZZACHSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine
CID 66358674
3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine
CID 115906505
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-(1-ethoxypropan-2-yloxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 103491330
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
CID 111824170
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
2,2-diethyl-N-methyl-3-(oxan-4-yloxy)cyclobutan-1-amine
CID 66350897
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750
1-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)cyclopentane-1-carboxamide
CID 119344173
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
N,2,2-triethyl-3-propoxycyclobutan-1-amine
CID 66358672

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine?
The IUPAC name of trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine (CID 95781902) is trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine is CCO[C@@H]1C[C@@H](NC)C1(CC)CC.
What is the InChIKey of trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine?
The InChIKey is OBFBZFQVRPRNHC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(6-2)9(12-4)8-10(11)13-7-3/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine?
trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 95781902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).