2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol

C14H25N3O — CID 104552388

IUPAC2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
SMILESCCNC(CC)c1ccc(N(C)C(C)CO)cn1
InChIInChI=1S/C14H25N3O/c1-5-13(15-6-2)14-8-7-12(9-16-14)17(4)11(3)10-18/h7-9,11,13,15,18H,5-6,10H2,1-4H3
InChIKeyMCHJXEWAEMBJOQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.96
Rot. Bonds7

About 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol

2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol (PubChem CID 104552388) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
PubChem CID104552388
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
SMILESCCNC(CC)c1ccc(N(C)C(C)CO)cn1
InChIInChI=1S/C14H25N3O/c1-5-13(15-6-2)14-8-7-12(9-16-14)17(4)11(3)10-18/h7-9,11,13,15,18H,5-6,10H2,1-4H3
InChIKeyMCHJXEWAEMBJOQ-UHFFFAOYSA-N
XLogP1.96
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 115939424
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
N-cyclohexyl-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939191
N-(cyclopropylmethyl)-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 112584247
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
CID 107480571
N'-ethyl-N'-[6-[1-(ethylamino)propyl]-3-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102994077
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
6-[1-(ethylamino)propyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine
CID 115939736
3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile
CID 112584427
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(3-methylbutyl)pyridin-3-amine
CID 115939457

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol (CID 104552388) is 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol is CCNC(CC)c1ccc(N(C)C(C)CO)cn1.
What is the InChIKey of 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol?
The InChIKey is MCHJXEWAEMBJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-13(15-6-2)14-8-7-12(9-16-14)17(4)11(3)10-18/h7-9,11,13,15,18H,5-6,10H2,1-4H3.
What are the key properties of 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol?
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104552388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).