trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol

C10H21NO — CID 167274042

IUPACtrans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol
SMILESCC(C)CN[C@@H]1CCC[C@]1(C)O
InChIInChI=1S/C10H21NO/c1-8(2)7-11-9-5-4-6-10(9,3)12/h8-9,11-12H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyFPMSGOVLXZVNTK-ZJUUUORDSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds3

About trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol

trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol (PubChem CID 167274042) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol
PubChem CID167274042
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol
SMILESCC(C)CN[C@@H]1CCC[C@]1(C)O
InChIInChI=1S/C10H21NO/c1-8(2)7-11-9-5-4-6-10(9,3)12/h8-9,11-12H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyFPMSGOVLXZVNTK-ZJUUUORDSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol (CID 167274042) is trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol is CC(C)CN[C@@H]1CCC[C@]1(C)O.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol?
The InChIKey is FPMSGOVLXZVNTK-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-11-9-5-4-6-10(9,3)12/h8-9,11-12H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol?
trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-(2-methylpropylamino)cyclopentan-1-ol is sourced from PubChem (CID 167274042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).