trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine

C10H21NO — CID 176752659

IUPACtrans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
SMILESCO[C@H]1CCC[C@@H]1NCC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-11-9-5-4-6-10(9)12-3/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyAUJBIEFBTLARMV-UWVGGRQHSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

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

trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine (PubChem CID 176752659) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
PubChem CID176752659
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
SMILESCO[C@H]1CCC[C@@H]1NCC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-11-9-5-4-6-10(9)12-3/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyAUJBIEFBTLARMV-UWVGGRQHSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
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-(2-methylpropyl)cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine (CID 176752659) is trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine is CO[C@H]1CCC[C@@H]1NCC(C)C.
What is the InChIKey of trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine?
The InChIKey is AUJBIEFBTLARMV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-11-9-5-4-6-10(9)12-3/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine?
trans-(1S,2S)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 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-(2-methylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 176752659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).