cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen

C12H27NO — CID 143951282

IUPACcyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
SMILESC1CCCCC1.CN1CCC[C@H]1CO.[H][H]
InChIInChI=1S/C6H13NO.C6H12.H2/c1-7-4-2-3-6(7)5-8;1-2-4-6-5-3-1;/h6,8H,2-5H2,1H3;1-6H2;1H/t6-;;/m0../s1
InChIKeyYJVYKZTWEYIKCN-ILKKLZGPSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds1

About cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen

cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen (PubChem CID 143951282) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen.

Molecular Properties

Compound Namecyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
PubChem CID143951282
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Namecyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
SMILESC1CCCCC1.CN1CCC[C@H]1CO.[H][H]
InChIInChI=1S/C6H13NO.C6H12.H2/c1-7-4-2-3-6(7)5-8;1-2-4-6-5-3-1;/h6,8H,2-5H2,1H3;1-6H2;1H/t6-;;/m0../s1
InChIKeyYJVYKZTWEYIKCN-ILKKLZGPSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen?
The IUPAC name of cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen (CID 143951282) is cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen.
What is the SMILES notation for cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen?
The canonical SMILES for cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen is C1CCCCC1.CN1CCC[C@H]1CO.[H][H].
What is the InChIKey of cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen?
The InChIKey is YJVYKZTWEYIKCN-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H13NO.C6H12.H2/c1-7-4-2-3-6(7)5-8;1-2-4-6-5-3-1;/h6,8H,2-5H2,1H3;1-6H2;1H/t6-;;/m0../s1.
What are the key properties of cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen?
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen has a molecular weight of 201.35 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen is sourced from PubChem (CID 143951282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).