5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol

C17H35N3O — CID 66053891

IUPAC5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCC1CCC(NC)C(CN2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C17H35N3O/c1-5-13-6-7-17(18-2)14(8-13)10-20-12-16(21)9-15(20)11-19(3)4/h13-18,21H,5-12H2,1-4H3
InChIKeySKQSOJIJUJCQGD-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.40
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 66053891) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID66053891
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCC1CCC(NC)C(CN2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C17H35N3O/c1-5-13-6-7-17(18-2)14(8-13)10-20-12-16(21)9-15(20)11-19(3)4/h13-18,21H,5-12H2,1-4H3
InChIKeySKQSOJIJUJCQGD-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol (CID 66053891) is 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol is CCC1CCC(NC)C(CN2CC(O)CC2CN(C)C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is SKQSOJIJUJCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-13-6-7-17(18-2)14(8-13)10-20-12-16(21)9-15(20)11-19(3)4/h13-18,21H,5-12H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 297.49 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).