2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol

C12H21N3O2 — CID 80797618

IUPAC2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
SMILESCCCNc1cccc(N(CCO)CCO)n1
InChIInChI=1S/C12H21N3O2/c1-2-6-13-11-4-3-5-12(14-11)15(7-9-16)8-10-17/h3-5,16-17H,2,6-10H2,1H3,(H,13,14)
InChIKeyDNJDNAZTYHPWJH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.69
Rot. Bonds8

About 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol

2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol (PubChem CID 80797618) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
PubChem CID80797618
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
SMILESCCCNc1cccc(N(CCO)CCO)n1
InChIInChI=1S/C12H21N3O2/c1-2-6-13-11-4-3-5-12(14-11)15(7-9-16)8-10-17/h3-5,16-17H,2,6-10H2,1H3,(H,13,14)
InChIKeyDNJDNAZTYHPWJH-UHFFFAOYSA-N
XLogP0.69
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80796692
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80753536
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102717771
6-hydrazinyl-N,N-dipropylpyridin-2-amine
CID 80932520
2-[butyl-(6-fluoro-2-pyridinyl)amino]ethanol
CID 61447347
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol (CID 80797618) is 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol is CCCNc1cccc(N(CCO)CCO)n1.
What is the InChIKey of 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol?
The InChIKey is DNJDNAZTYHPWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-6-13-11-4-3-5-12(14-11)15(7-9-16)8-10-17/h3-5,16-17H,2,6-10H2,1H3,(H,13,14).
What are the key properties of 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol?
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 80797618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).