2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol

C14H25N3O — CID 62471942

IUPAC2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1ncccc1CN(CCC)CCO
InChIInChI=1S/C14H25N3O/c1-3-7-15-14-13(6-5-8-16-14)12-17(9-4-2)10-11-18/h5-6,8,18H,3-4,7,9-12H2,1-2H3,(H,15,16)
InChIKeyUSKLLFNPSVWKGQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds9

About 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol

2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol (PubChem CID 62471942) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
PubChem CID62471942
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1ncccc1CN(CCC)CCO
InChIInChI=1S/C14H25N3O/c1-3-7-15-14-13(6-5-8-16-14)12-17(9-4-2)10-11-18/h5-6,8,18H,3-4,7,9-12H2,1-2H3,(H,15,16)
InChIKeyUSKLLFNPSVWKGQ-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 62472100
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62469605
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
The IUPAC name of 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol (CID 62471942) is 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol is CCCNc1ncccc1CN(CCC)CCO.
What is the InChIKey of 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
The InChIKey is USKLLFNPSVWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-7-15-14-13(6-5-8-16-14)12-17(9-4-2)10-11-18/h5-6,8,18H,3-4,7,9-12H2,1-2H3,(H,15,16).
What are the key properties of 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol is sourced from PubChem (CID 62471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).