2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol

C9H15N3O — CID 104551058

IUPAC2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncccc1N
InChIInChI=1S/C9H15N3O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6,10H2,1-2H3
InChIKeyGFEPDRJOZMKEIX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.48
Rot. Bonds3

About 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol

2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol (PubChem CID 104551058) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
PubChem CID104551058
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncccc1N
InChIInChI=1S/C9H15N3O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6,10H2,1-2H3
InChIKeyGFEPDRJOZMKEIX-UHFFFAOYSA-N
XLogP0.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 130703156
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
CID 104552120
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
2-N-cyclopropyl-2-N-methylpyridine-2,3-diamine
CID 43264702
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
2-N-(3-fluoro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 83828629
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
CID 104551057
N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 104555263
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 93081574

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol (CID 104551058) is 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol is CC(CO)N(C)c1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol?
The InChIKey is GFEPDRJOZMKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6,10H2,1-2H3.
What are the key properties of 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol?
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol is sourced from PubChem (CID 104551058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).