trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine

C7H15NO — CID 58216275

IUPACtrans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine
SMILESCN[C@H]1CCC[C@@H]1OC
InChIInChI=1S/C7H15NO/c1-8-6-4-3-5-7(6)9-2/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyWMMFKATWGACKTE-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds2

About trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine

trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine (PubChem CID 58216275) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine
PubChem CID58216275
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nametrans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine
SMILESCN[C@H]1CCC[C@@H]1OC
InChIInChI=1S/C7H15NO/c1-8-6-4-3-5-7(6)9-2/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyWMMFKATWGACKTE-BQBZGAKWSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine (CID 58216275) is trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine is CN[C@H]1CCC[C@@H]1OC.
What is the InChIKey of trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine?
The InChIKey is WMMFKATWGACKTE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-6-4-3-5-7(6)9-2/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine?
trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine is sourced from PubChem (CID 58216275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).