2,2-bis(methylaminomethyl)propane-1,3-diol

C7H18N2O2 — CID 57022765

IUPAC2,2-bis(methylaminomethyl)propane-1,3-diol
SMILESCNCC(CO)(CO)CNC
InChIInChI=1S/C7H18N2O2/c1-8-3-7(5-10,6-11)4-9-2/h8-11H,3-6H2,1-2H3
InChIKeyYFUIVPOLDRRCFL-UHFFFAOYSA-N
MW162.23 g/mol
LogP-1.60
Rot. Bonds6

About 2,2-bis(methylaminomethyl)propane-1,3-diol

2,2-bis(methylaminomethyl)propane-1,3-diol (PubChem CID 57022765) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,2-bis(methylaminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(methylaminomethyl)propane-1,3-diol
PubChem CID57022765
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name2,2-bis(methylaminomethyl)propane-1,3-diol
SMILESCNCC(CO)(CO)CNC
InChIInChI=1S/C7H18N2O2/c1-8-3-7(5-10,6-11)4-9-2/h8-11H,3-6H2,1-2H3
InChIKeyYFUIVPOLDRRCFL-UHFFFAOYSA-N
XLogP-1.60
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methylaminomethyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(methylaminomethyl)propane-1,3-diol (CID 57022765) is 2,2-bis(methylaminomethyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(methylaminomethyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(methylaminomethyl)propane-1,3-diol is CNCC(CO)(CO)CNC.
What is the InChIKey of 2,2-bis(methylaminomethyl)propane-1,3-diol?
The InChIKey is YFUIVPOLDRRCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-8-3-7(5-10,6-11)4-9-2/h8-11H,3-6H2,1-2H3.
What are the key properties of 2,2-bis(methylaminomethyl)propane-1,3-diol?
2,2-bis(methylaminomethyl)propane-1,3-diol has a molecular weight of 162.23 g/mol, XLogP of -1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methylaminomethyl)propane-1,3-diol is sourced from PubChem (CID 57022765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).