cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine

C7H15NO — CID 95970229

IUPACcis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCO[C@H]1C[C@@H](N)C1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)5(8)4-6(7)9-3/h5-6H,4,8H2,1-3H3/t5-,6+/m1/s1
InChIKeyJMQMEXCEVGRIOY-RITPCOANSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine

cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 95970229) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID95970229
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namecis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCO[C@H]1C[C@@H](N)C1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)5(8)4-6(7)9-3/h5-6H,4,8H2,1-3H3/t5-,6+/m1/s1
InChIKeyJMQMEXCEVGRIOY-RITPCOANSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 95970229) is cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine is CO[C@H]1C[C@@H](N)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is JMQMEXCEVGRIOY-RITPCOANSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5(8)4-6(7)9-3/h5-6H,4,8H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine?
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 95970229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).