2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol

C11H19N3O2 — CID 107864682

IUPAC2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccc(CN)cn1
InChIInChI=1S/C11H19N3O2/c1-2-11(7-15,8-16)14-10-4-3-9(5-12)6-13-10/h3-4,6,15-16H,2,5,7-8,12H2,1H3,(H,13,14)
InChIKeyIOBTYHNCZKGXTQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.09
Rot. Bonds6

About 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol

2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol (PubChem CID 107864682) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol
PubChem CID107864682
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccc(CN)cn1
InChIInChI=1S/C11H19N3O2/c1-2-11(7-15,8-16)14-10-4-3-9(5-12)6-13-10/h3-4,6,15-16H,2,5,7-8,12H2,1H3,(H,13,14)
InChIKeyIOBTYHNCZKGXTQ-UHFFFAOYSA-N
XLogP0.09
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
1-(2-Methoxyethyl)-3-(3-methylpyridin-2-yl)thiourea
CID 2239331
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
Dicyclopropyl-methanone O-[2-hydroxy-3-(pyridin-2-ylamino)-propyl]-oxime
CID 10778795
Dicyclopropyl-methanone O-[2-hydroxy-3-(4-methyl-pyridin-2-ylamino)-propyl]-oxime
CID 10835117
1-(5-Methyl-2-pyridinyl)-2-propylguanidine;hydrochloride
CID 56837267
3-Methyl-2-(5-trifluoromethyl-pyridin-2-ylamino)-butyric acid
CID 3106368
(2S)-2-((3-fluoropyridin-2-yl)(methyl)amino)propan-1-ol
CID 126787150
3-((Pyridin-2-yl)amino)propan-1-ol
CID 11412479
N,5-dimethylpyridin-2-amine
CID 14929588

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol (CID 107864682) is 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1ccc(CN)cn1.
What is the InChIKey of 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol?
The InChIKey is IOBTYHNCZKGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-11(7-15,8-16)14-10-4-3-9(5-12)6-13-10/h3-4,6,15-16H,2,5,7-8,12H2,1H3,(H,13,14).
What are the key properties of 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol?
2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol has a molecular weight of 225.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).