2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol

C14H32N2O2 — CID 114229098

IUPAC2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol
SMILESCCCCN(CCO)CCC(NC)C(C)(C)OC
InChIInChI=1S/C14H32N2O2/c1-6-7-9-16(11-12-17)10-8-13(15-4)14(2,3)18-5/h13,15,17H,6-12H2,1-5H3
InChIKeyPRUONULYWLOODE-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.48
Rot. Bonds11

About 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol

2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol (PubChem CID 114229098) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol
PubChem CID114229098
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol
SMILESCCCCN(CCO)CCC(NC)C(C)(C)OC
InChIInChI=1S/C14H32N2O2/c1-6-7-9-16(11-12-17)10-8-13(15-4)14(2,3)18-5/h13,15,17H,6-12H2,1-5H3
InChIKeyPRUONULYWLOODE-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
5-(dibutylamino)-3-methylpentan-1-ol
CID 12040637
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol?
The IUPAC name of 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol (CID 114229098) is 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol is CCCCN(CCO)CCC(NC)C(C)(C)OC.
What is the InChIKey of 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol?
The InChIKey is PRUONULYWLOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-6-7-9-16(11-12-17)10-8-13(15-4)14(2,3)18-5/h13,15,17H,6-12H2,1-5H3.
What are the key properties of 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol?
2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol has a molecular weight of 260.42 g/mol, XLogP of 1.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol is sourced from PubChem (CID 114229098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).