trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol

C14H27NO — CID 59200793

IUPACtrans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESCCC1(CC)CC[C@@H](N2CCCC2)[C@H](O)C1
InChIInChI=1S/C14H27NO/c1-3-14(4-2)8-7-12(13(16)11-14)15-9-5-6-10-15/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyRKWVJEKSEHNIFO-CHWSQXEVSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds3

About trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol

trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 59200793) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID59200793
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nametrans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESCCC1(CC)CC[C@@H](N2CCCC2)[C@H](O)C1
InChIInChI=1S/C14H27NO/c1-3-14(4-2)8-7-12(13(16)11-14)15-9-5-6-10-15/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyRKWVJEKSEHNIFO-CHWSQXEVSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 59200793) is trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol is CCC1(CC)CC[C@@H](N2CCCC2)[C@H](O)C1.
What is the InChIKey of trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is RKWVJEKSEHNIFO-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(4-2)8-7-12(13(16)11-14)15-9-5-6-10-15/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 59200793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).