2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol

C11H19N3O — CID 104551342

IUPAC2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)C(CN)c1ccccn1
InChIInChI=1S/C11H19N3O/c1-9(8-15)14(2)11(7-12)10-5-3-4-6-13-10/h3-6,9,11,15H,7-8,12H2,1-2H3
InChIKeySNUBOLAJOJKVFS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.39
Rot. Bonds5

About 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol

2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol (PubChem CID 104551342) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol
PubChem CID104551342
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)C(CN)c1ccccn1
InChIInChI=1S/C11H19N3O/c1-9(8-15)14(2)11(7-12)10-5-3-4-6-13-10/h3-6,9,11,15H,7-8,12H2,1-2H3
InChIKeySNUBOLAJOJKVFS-UHFFFAOYSA-N
XLogP0.39
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
2-(aminomethyl)-4-pyridin-2-ylpentan-1-ol
CID 83929964
N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 114991327
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
CID 55004964
2-pyridin-2-ylpropan-1-amine
CID 21481533
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 61076742
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol (CID 104551342) is 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol is CC(CO)N(C)C(CN)c1ccccn1.
What is the InChIKey of 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol?
The InChIKey is SNUBOLAJOJKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(8-15)14(2)11(7-12)10-5-3-4-6-13-10/h3-6,9,11,15H,7-8,12H2,1-2H3.
What are the key properties of 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol?
2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol is sourced from PubChem (CID 104551342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).