(1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol

C11H23NO — CID 7106968

IUPAC(1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol
SMILESCN[C@@]1(C)[C@@H](C(C)C)CC[C@]1(C)O
InChIInChI=1S/C11H23NO/c1-8(2)9-6-7-10(3,13)11(9,4)12-5/h8-9,12-13H,6-7H2,1-5H3/t9-,10+,11+/m1/s1
InChIKeyWFYLMIPDAJFKSH-VWYCJHECSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds2

About (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol

(1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol (PubChem CID 7106968) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol
PubChem CID7106968
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol
SMILESCN[C@@]1(C)[C@@H](C(C)C)CC[C@]1(C)O
InChIInChI=1S/C11H23NO/c1-8(2)9-6-7-10(3,13)11(9,4)12-5/h8-9,12-13H,6-7H2,1-5H3/t9-,10+,11+/m1/s1
InChIKeyWFYLMIPDAJFKSH-VWYCJHECSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol?
The IUPAC name of (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol (CID 7106968) is (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol is CN[C@@]1(C)[C@@H](C(C)C)CC[C@]1(C)O.
What is the InChIKey of (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol?
The InChIKey is WFYLMIPDAJFKSH-VWYCJHECSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)9-6-7-10(3,13)11(9,4)12-5/h8-9,12-13H,6-7H2,1-5H3/t9-,10+,11+/m1/s1.
What are the key properties of (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol?
(1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-1,2-dimethyl-2-(methylamino)-3-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 7106968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).