2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol

C13H23N3O — CID 104533367

IUPAC2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol
SMILESCCCCN(CCO)c1cncc(NCC)c1
InChIInChI=1S/C13H23N3O/c1-3-5-6-16(7-8-17)13-9-12(15-4-2)10-14-11-13/h9-11,15,17H,3-8H2,1-2H3
InChIKeyDYRLHXJSMDKLQY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds8

About 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol

2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol (PubChem CID 104533367) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol
PubChem CID104533367
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol
SMILESCCCCN(CCO)c1cncc(NCC)c1
InChIInChI=1S/C13H23N3O/c1-3-5-6-16(7-8-17)13-9-12(15-4-2)10-14-11-13/h9-11,15,17H,3-8H2,1-2H3
InChIKeyDYRLHXJSMDKLQY-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl-[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104533210
5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 113423883
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine
CID 104532476
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
CID 104533037
3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
CID 113423873
2-[(6-amino-3-pyridinyl)-butylamino]ethanol
CID 61444320
5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
CID 104534905
3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
CID 104532448
5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
CID 104535385

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol (CID 104533367) is 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol is CCCCN(CCO)c1cncc(NCC)c1.
What is the InChIKey of 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol?
The InChIKey is DYRLHXJSMDKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-6-16(7-8-17)13-9-12(15-4-2)10-14-11-13/h9-11,15,17H,3-8H2,1-2H3.
What are the key properties of 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol?
2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol has a molecular weight of 237.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 104533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).