trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine

C10H20N2 — CID 67550021

IUPACtrans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
SMILESCN[C@H]1CCC[C@@H]1N1CCCC1
InChIInChI=1S/C10H20N2/c1-11-9-5-4-6-10(9)12-7-2-3-8-12/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyOMGFGRGQNOANOL-UWVGGRQHSA-N
MW168.28 g/mol
LogP1.22
Rot. Bonds2

About trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine

trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine (PubChem CID 67550021) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
PubChem CID67550021
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nametrans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
SMILESCN[C@H]1CCC[C@@H]1N1CCCC1
InChIInChI=1S/C10H20N2/c1-11-9-5-4-6-10(9)12-7-2-3-8-12/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyOMGFGRGQNOANOL-UWVGGRQHSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine (CID 67550021) is trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine is CN[C@H]1CCC[C@@H]1N1CCCC1.
What is the InChIKey of trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine?
The InChIKey is OMGFGRGQNOANOL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2/c1-11-9-5-4-6-10(9)12-7-2-3-8-12/h9-11H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine?
trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine is sourced from PubChem (CID 67550021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).