[(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol

C14H27NO — CID 129492949

IUPAC[(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H]1C[C@H](N2CC[C@@H](CO)C2)CC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-11-6-13(8-14(2,3)7-11)15-5-4-12(9-15)10-16/h11-13,16H,4-10H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyAKCLYFSGOWGIOU-UPJWGTAASA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds2

About [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol

[(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol (PubChem CID 129492949) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol
PubChem CID129492949
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H]1C[C@H](N2CC[C@@H](CO)C2)CC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-11-6-13(8-14(2,3)7-11)15-5-4-12(9-15)10-16/h11-13,16H,4-10H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyAKCLYFSGOWGIOU-UPJWGTAASA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol (CID 129492949) is [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol is C[C@@H]1C[C@H](N2CC[C@@H](CO)C2)CC(C)(C)C1.
What is the InChIKey of [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol?
The InChIKey is AKCLYFSGOWGIOU-UPJWGTAASA-N. The full InChI is InChI=1S/C14H27NO/c1-11-6-13(8-14(2,3)7-11)15-5-4-12(9-15)10-16/h11-13,16H,4-10H2,1-3H3/t11-,12-,13+/m1/s1.
What are the key properties of [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129492949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).