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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Related Compounds

CID 53619938
CID 53619938
CID 66356849
CID 66356849
CID 74891325
CID 74891325
CID 75481528
CID 75481528
CID 53619936
CID 53619936
CID 64568592
CID 64568592
CID 66357626
CID 66357626
CID 66357768
CID 66357768
CID 66358177
CID 66358177
CID 66358393
CID 66358393
CID 71757966
CID 71757966
CID 71758158
CID 71758158

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).