(3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol

C14H28N2O — CID 57251133

IUPAC(3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol
SMILESCCN1C[C@H](O)C[C@H]1CNCC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-2-16-11-14(17)8-13(16)10-15-9-12-6-4-3-5-7-12/h12-15,17H,2-11H2,1H3/t13-,14+/m0/s1
InChIKeyPWOSWRVANHNGOA-UONOGXRCSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds5

About (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol

(3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol (PubChem CID 57251133) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol
PubChem CID57251133
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol
SMILESCCN1C[C@H](O)C[C@H]1CNCC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-2-16-11-14(17)8-13(16)10-15-9-12-6-4-3-5-7-12/h12-15,17H,2-11H2,1H3/t13-,14+/m0/s1
InChIKeyPWOSWRVANHNGOA-UONOGXRCSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol (CID 57251133) is (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol is CCN1C[C@H](O)C[C@H]1CNCC1CCCCC1.
What is the InChIKey of (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol?
The InChIKey is PWOSWRVANHNGOA-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-16-11-14(17)8-13(16)10-15-9-12-6-4-3-5-7-12/h12-15,17H,2-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol?
(3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(cyclohexylmethylamino)methyl]-1-ethylpyrrolidin-3-ol is sourced from PubChem (CID 57251133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).