1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol

C12H20N2O2 — CID 103449230

IUPAC1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
SMILESCCC(O)(CC)C(O)Cc1cnccc1N
InChIInChI=1S/C12H20N2O2/c1-3-12(16,4-2)11(15)7-9-8-14-6-5-10(9)13/h5-6,8,11,15-16H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyRBGMHDZWVFGEGV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.12
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol

1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol (PubChem CID 103449230) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
PubChem CID103449230
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
SMILESCCC(O)(CC)C(O)Cc1cnccc1N
InChIInChI=1S/C12H20N2O2/c1-3-12(16,4-2)11(15)7-9-8-14-6-5-10(9)13/h5-6,8,11,15-16H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyRBGMHDZWVFGEGV-UHFFFAOYSA-N
XLogP1.12
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79063484
1-(4-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069633
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053969
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800650
3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
CID 65129254

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol (CID 103449230) is 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol is CCC(O)(CC)C(O)Cc1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol?
The InChIKey is RBGMHDZWVFGEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-12(16,4-2)11(15)7-9-8-14-6-5-10(9)13/h5-6,8,11,15-16H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol?
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol has a molecular weight of 224.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol is sourced from PubChem (CID 103449230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).