1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol

C11H19N3O — CID 104594292

IUPAC1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
SMILESCc1cccc(NCCNCC(C)O)n1
InChIInChI=1S/C11H19N3O/c1-9-4-3-5-11(14-9)13-7-6-12-8-10(2)15/h3-5,10,12,15H,6-8H2,1-2H3,(H,13,14)
InChIKeyABTQZTJLSOVIHQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds6

About 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol

1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol (PubChem CID 104594292) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
PubChem CID104594292
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
SMILESCc1cccc(NCCNCC(C)O)n1
InChIInChI=1S/C11H19N3O/c1-9-4-3-5-11(14-9)13-7-6-12-8-10(2)15/h3-5,10,12,15H,6-8H2,1-2H3,(H,13,14)
InChIKeyABTQZTJLSOVIHQ-UHFFFAOYSA-N
XLogP0.77
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222
1-[(6-methyl-2-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133482915
6-methyl-N-(2-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483394
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
CID 133483913
1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol
CID 104594455
6-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483564

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol (CID 104594292) is 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol is Cc1cccc(NCCNCC(C)O)n1.
What is the InChIKey of 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol?
The InChIKey is ABTQZTJLSOVIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-4-3-5-11(14-9)13-7-6-12-8-10(2)15/h3-5,10,12,15H,6-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol?
1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).