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

C16H29N3O — CID 115939424

IUPAC3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
SMILESCCNC(CC)c1ccc(N(CCCO)C(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-5-15(17-6-2)16-9-8-14(12-18-16)19(13(3)4)10-7-11-20/h8-9,12-13,15,17,20H,5-7,10-11H2,1-4H3
InChIKeyMINAHMPSTJQYBT-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.74
Rot. Bonds9

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

3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol (PubChem CID 115939424) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
PubChem CID115939424
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
SMILESCCNC(CC)c1ccc(N(CCCO)C(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-5-15(17-6-2)16-9-8-14(12-18-16)19(13(3)4)10-7-11-20/h8-9,12-13,15,17,20H,5-7,10-11H2,1-4H3
InChIKeyMINAHMPSTJQYBT-UHFFFAOYSA-N
XLogP2.74
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 83122766
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
CID 107480571
1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112585369
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
N'-ethyl-N'-[6-[1-(ethylamino)propyl]-3-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102994077
6-[1-(ethylamino)propyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine
CID 115939736
N-butyl-N-cyclopropyl-6-[1-(ethylamino)propyl]pyridin-3-amine
CID 115939376
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol (CID 115939424) is 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol is CCNC(CC)c1ccc(N(CCCO)C(C)C)cn1.
What is the InChIKey of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
The InChIKey is MINAHMPSTJQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-15(17-6-2)16-9-8-14(12-18-16)19(13(3)4)10-7-11-20/h8-9,12-13,15,17,20H,5-7,10-11H2,1-4H3.
What are the key properties of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 115939424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).