2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol

C10H17N3O2 — CID 65313218

IUPAC2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
SMILESCc1ccc(CN)c(NC(CO)CO)n1
InChIInChI=1S/C10H17N3O2/c1-7-2-3-8(4-11)10(12-7)13-9(5-14)6-15/h2-3,9,14-15H,4-6,11H2,1H3,(H,12,13)
InChIKeyDEAZKBQLTPMLQR-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.39
Rot. Bonds5

About 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol

2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol (PubChem CID 65313218) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
PubChem CID65313218
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
SMILESCc1ccc(CN)c(NC(CO)CO)n1
InChIInChI=1S/C10H17N3O2/c1-7-2-3-8(4-11)10(12-7)13-9(5-14)6-15/h2-3,9,14-15H,4-6,11H2,1H3,(H,12,13)
InChIKeyDEAZKBQLTPMLQR-UHFFFAOYSA-N
XLogP-0.39
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol (CID 65313218) is 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol is Cc1ccc(CN)c(NC(CO)CO)n1.
What is the InChIKey of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
The InChIKey is DEAZKBQLTPMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-2-3-8(4-11)10(12-7)13-9(5-14)6-15/h2-3,9,14-15H,4-6,11H2,1H3,(H,12,13).
What are the key properties of 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol?
2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol has a molecular weight of 211.26 g/mol, XLogP of -0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol is sourced from PubChem (CID 65313218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).