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

C8H17NO — CID 129113118

IUPACtrans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
SMILESCO[C@H]1CCC[C@@H]1N(C)C
InChIInChI=1S/C8H17NO/c1-9(2)7-5-4-6-8(7)10-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyPQSLVOVKWLYEOH-YUMQZZPRSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds2

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

trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine (PubChem CID 129113118) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
PubChem CID129113118
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
SMILESCO[C@H]1CCC[C@@H]1N(C)C
InChIInChI=1S/C8H17NO/c1-9(2)7-5-4-6-8(7)10-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyPQSLVOVKWLYEOH-YUMQZZPRSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine (CID 129113118) is trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine is CO[C@H]1CCC[C@@H]1N(C)C.
What is the InChIKey of trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine?
The InChIKey is PQSLVOVKWLYEOH-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-9(2)7-5-4-6-8(7)10-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine?
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 129113118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).