ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol

C9H22N2O — CID 145349537

IUPACethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol
SMILESCC.CNCC1CN(C)CC1O
InChIInChI=1S/C7H16N2O.C2H6/c1-8-3-6-4-9(2)5-7(6)10;1-2/h6-8,10H,3-5H2,1-2H3;1-2H3
InChIKeyCLXCBWZCYWSXMK-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.15
Rot. Bonds2

About ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol

ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol (PubChem CID 145349537) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol
PubChem CID145349537
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol
SMILESCC.CNCC1CN(C)CC1O
InChIInChI=1S/C7H16N2O.C2H6/c1-8-3-6-4-9(2)5-7(6)10;1-2/h6-8,10H,3-5H2,1-2H3;1-2H3
InChIKeyCLXCBWZCYWSXMK-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol (CID 145349537) is ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol is CC.CNCC1CN(C)CC1O.
What is the InChIKey of ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol?
The InChIKey is CLXCBWZCYWSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-8-3-6-4-9(2)5-7(6)10;1-2/h6-8,10H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol?
ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol has a molecular weight of 174.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol is sourced from PubChem (CID 145349537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).