1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol

C13H23N3O — CID 54948256

IUPAC1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
SMILESCCNCC(O)CN(CC)Cc1ccncc1
InChIInChI=1S/C13H23N3O/c1-3-14-9-13(17)11-16(4-2)10-12-5-7-15-8-6-12/h5-8,13-14,17H,3-4,9-11H2,1-2H3
InChIKeyCEWCDIAAEUIIDG-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.87
Rot. Bonds8

About 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol

1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol (PubChem CID 54948256) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
PubChem CID54948256
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
SMILESCCNCC(O)CN(CC)Cc1ccncc1
InChIInChI=1S/C13H23N3O/c1-3-14-9-13(17)11-16(4-2)10-12-5-7-15-8-6-12/h5-8,13-14,17H,3-4,9-11H2,1-2H3
InChIKeyCEWCDIAAEUIIDG-UHFFFAOYSA-N
XLogP0.87
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556276
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63914966
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367790

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol (CID 54948256) is 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol is CCNCC(O)CN(CC)Cc1ccncc1.
What is the InChIKey of 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
The InChIKey is CEWCDIAAEUIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-14-9-13(17)11-16(4-2)10-12-5-7-15-8-6-12/h5-8,13-14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol?
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 54948256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).