(1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol

C12H25NO — CID 7054300

IUPAC(1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol
SMILESCNC[C@@H](O)[C@]1(C)CC[C@@H](C)C1(C)C
InChIInChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyGNYKHQJGTQHNQT-FOGDFJRCSA-N
MW199.34 g/mol
LogP2.03
Rot. Bonds3

About (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol

(1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol (PubChem CID 7054300) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol.

Molecular Properties

Compound Name(1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol
PubChem CID7054300
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol
SMILESCNC[C@@H](O)[C@]1(C)CC[C@@H](C)C1(C)C
InChIInChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyGNYKHQJGTQHNQT-FOGDFJRCSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol?
The IUPAC name of (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol (CID 7054300) is (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol.
What is the SMILES notation for (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol?
The canonical SMILES for (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol is CNC[C@@H](O)[C@]1(C)CC[C@@H](C)C1(C)C.
What is the InChIKey of (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol?
The InChIKey is GNYKHQJGTQHNQT-FOGDFJRCSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/t9-,10-,12+/m1/s1.
What are the key properties of (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol?
(1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(methylamino)-1-[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]ethanol is sourced from PubChem (CID 7054300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).