2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol

C13H23N3O — CID 62184221

IUPAC2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(NC)nc1
InChIInChI=1S/C13H23N3O/c1-3-4-7-16(8-9-17)11-12-5-6-13(14-2)15-10-12/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,14,15)
InChIKeySQECVUSWYFKNFB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds8

About 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol

2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol (PubChem CID 62184221) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
PubChem CID62184221
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(NC)nc1
InChIInChI=1S/C13H23N3O/c1-3-4-7-16(8-9-17)11-12-5-6-13(14-2)15-10-12/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,14,15)
InChIKeySQECVUSWYFKNFB-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol
CID 103055873
2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62182263
5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
CID 62183710
5-butyl-N-methylpyridin-2-amine
CID 139696772
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446
5-[(dibutylamino)methyl]-N-methylpyrazin-2-amine
CID 103055563
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol
CID 24856413
N-methyl-5-propylpyridin-2-amine
CID 88974517
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
2-[benzyl(nonyl)amino]ethanol
CID 63469962
4-[[butyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 110909459

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol (CID 62184221) is 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol is CCCCN(CCO)Cc1ccc(NC)nc1.
What is the InChIKey of 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol?
The InChIKey is SQECVUSWYFKNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-7-16(8-9-17)11-12-5-6-13(14-2)15-10-12/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol?
2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol is sourced from PubChem (CID 62184221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).