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

C16H33N3O — CID 66053309

IUPAC5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCNCC1(CN2CC(O)CC2CN(C)C)CCCCC1
InChIInChI=1S/C16H33N3O/c1-17-12-16(7-5-4-6-8-16)13-19-11-15(20)9-14(19)10-18(2)3/h14-15,17,20H,4-13H2,1-3H3
InChIKeyZXFQTTBNRVTEJB-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.15
Rot. Bonds6

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

5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 66053309) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID66053309
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCNCC1(CN2CC(O)CC2CN(C)C)CCCCC1
InChIInChI=1S/C16H33N3O/c1-17-12-16(7-5-4-6-8-16)13-19-11-15(20)9-14(19)10-18(2)3/h14-15,17,20H,4-13H2,1-3H3
InChIKeyZXFQTTBNRVTEJB-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.15
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-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (CID 66053309) is 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is CNCC1(CN2CC(O)CC2CN(C)C)CCCCC1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is ZXFQTTBNRVTEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-17-12-16(7-5-4-6-8-16)13-19-11-15(20)9-14(19)10-18(2)3/h14-15,17,20H,4-13H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 283.46 g/mol, XLogP of 1.15, 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-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).