2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol

C9H15N3O — CID 60960372

IUPAC2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1cc(CN)ccn1
InChIInChI=1S/C9H15N3O/c1-12(4-5-13)9-6-8(7-10)2-3-11-9/h2-3,6,13H,4-5,7,10H2,1H3
InChIKeyKDVKUAPGAJXNCH-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.03
Rot. Bonds4

About 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol

2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol (PubChem CID 60960372) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol
PubChem CID60960372
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1cc(CN)ccn1
InChIInChI=1S/C9H15N3O/c1-12(4-5-13)9-6-8(7-10)2-3-11-9/h2-3,6,13H,4-5,7,10H2,1H3
InChIKeyKDVKUAPGAJXNCH-UHFFFAOYSA-N
XLogP-0.03
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol (CID 60960372) is 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol is CN(CCO)c1cc(CN)ccn1.
What is the InChIKey of 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol?
The InChIKey is KDVKUAPGAJXNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(4-5-13)9-6-8(7-10)2-3-11-9/h2-3,6,13H,4-5,7,10H2,1H3.
What are the key properties of 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol?
2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol has a molecular weight of 181.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 60960372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).