2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol

C13H23N3O — CID 62465051

IUPAC2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
SMILESCCNc1cc(CN(CCO)C(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-4-14-13-9-12(5-6-15-13)10-16(7-8-17)11(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,14,15)
InChIKeySSXZNNPMMSRTOK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds7

About 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol

2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol (PubChem CID 62465051) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
PubChem CID62465051
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
SMILESCCNc1cc(CN(CCO)C(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-4-14-13-9-12(5-6-15-13)10-16(7-8-17)11(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,14,15)
InChIKeySSXZNNPMMSRTOK-UHFFFAOYSA-N
XLogP1.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62466441
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-ethylpyridin-2-amine
CID 62464510
N-methyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62466263
3-[2-(ethylamino)-4-pyridinyl]propan-1-ol
CID 57075658
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
2-[(2-amino-2-oxoethyl)-[[2-(ethylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62923572
N-ethyl-4-[[furan-2-ylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62471347
1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol
CID 79376914
4-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62471589
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
2-[(6-hydrazinyl-3-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62246484

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol (CID 62465051) is 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol is CCNc1cc(CN(CCO)C(C)C)ccn1.
What is the InChIKey of 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol?
The InChIKey is SSXZNNPMMSRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13-9-12(5-6-15-13)10-16(7-8-17)11(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol?
2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62465051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).