5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

C17H35N3O — CID 66052929

IUPAC5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCNCC1(CN2CC(O)CC2CN(C)C)CCCC(C)C1
InChIInChI=1S/C17H35N3O/c1-14-6-5-7-17(9-14,12-18-2)13-20-11-16(21)8-15(20)10-19(3)4/h14-16,18,21H,5-13H2,1-4H3
InChIKeyGEZPPNVLNOZOIX-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.40
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 66052929) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID66052929
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCNCC1(CN2CC(O)CC2CN(C)C)CCCC(C)C1
InChIInChI=1S/C17H35N3O/c1-14-6-5-7-17(9-14,12-18-2)13-20-11-16(21)8-15(20)10-19(3)4/h14-16,18,21H,5-13H2,1-4H3
InChIKeyGEZPPNVLNOZOIX-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-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (CID 66052929) is 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is CNCC1(CN2CC(O)CC2CN(C)C)CCCC(C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is GEZPPNVLNOZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14-6-5-7-17(9-14,12-18-2)13-20-11-16(21)8-15(20)10-19(3)4/h14-16,18,21H,5-13H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)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-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).