trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine

C8H17NO — CID 95566921

IUPACtrans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
SMILESCO[C@]1(C)C[C@H](N)C1(C)C
InChIInChI=1S/C8H17NO/c1-7(2)6(9)5-8(7,3)10-4/h6H,5,9H2,1-4H3/t6-,8+/m0/s1
InChIKeyZJYFCPQNVXGOFY-POYBYMJQSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine

trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine (PubChem CID 95566921) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
PubChem CID95566921
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
SMILESCO[C@]1(C)C[C@H](N)C1(C)C
InChIInChI=1S/C8H17NO/c1-7(2)6(9)5-8(7,3)10-4/h6H,5,9H2,1-4H3/t6-,8+/m0/s1
InChIKeyZJYFCPQNVXGOFY-POYBYMJQSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine (CID 95566921) is trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine is CO[C@]1(C)C[C@H](N)C1(C)C.
What is the InChIKey of trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
The InChIKey is ZJYFCPQNVXGOFY-POYBYMJQSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)6(9)5-8(7,3)10-4/h6H,5,9H2,1-4H3/t6-,8+/m0/s1.
What are the key properties of trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine is sourced from PubChem (CID 95566921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).