trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

C12H25NO — CID 155296863

IUPACtrans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCCN[C@H]1C[C@H](OC(C)(C)C)C1(C)C
InChIInChI=1S/C12H25NO/c1-7-13-9-8-10(12(9,5)6)14-11(2,3)4/h9-10,13H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyZWTCSHHNBOPLRR-UWVGGRQHSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds3

About trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (PubChem CID 155296863) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
PubChem CID155296863
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCCN[C@H]1C[C@H](OC(C)(C)C)C1(C)C
InChIInChI=1S/C12H25NO/c1-7-13-9-8-10(12(9,5)6)14-11(2,3)4/h9-10,13H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyZWTCSHHNBOPLRR-UWVGGRQHSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine with MolForge

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Related Compounds

1-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-ethylguanidine
CID 122099416
N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine
CID 66359818
N,2-diethyl-2-methyl-3-(2-methylbutan-2-yloxy)cyclobutan-1-amine
CID 66359047
N,2,2-trimethyl-3-(2-methylbutan-2-yloxy)cyclobutan-1-amine
CID 66359048
N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
CID 66359457
3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351618
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114631905
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (CID 155296863) is trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is CCN[C@H]1C[C@H](OC(C)(C)C)C1(C)C.
What is the InChIKey of trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The InChIKey is ZWTCSHHNBOPLRR-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-13-9-8-10(12(9,5)6)14-11(2,3)4/h9-10,13H,7-8H2,1-6H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 155296863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).