2-[bis(4-methylpentyl)amino]ethanol;hydrochloride

C14H32ClNO — CID 3065830

IUPAC2-[bis(4-methylpentyl)amino]ethanol;hydrochloride
SMILESCC(C)CCCN(CCO)CCCC(C)C.Cl
InChIInChI=1S/C14H31NO.ClH/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4;/h13-14,16H,5-12H2,1-4H3;1H
InChIKeyRZWCPSZJGULEEW-UHFFFAOYSA-N
MW265.87 g/mol
LogP3.57
Rot. Bonds10

About 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride

2-[bis(4-methylpentyl)amino]ethanol;hydrochloride (PubChem CID 3065830) has the molecular formula C14H32ClNO and a molecular weight of 265.87 g/mol. Its IUPAC name is 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[bis(4-methylpentyl)amino]ethanol;hydrochloride
PubChem CID3065830
Molecular FormulaC14H32ClNO
Molecular Weight265.87 g/mol
Exact Mass265.22
IUPAC Name2-[bis(4-methylpentyl)amino]ethanol;hydrochloride
SMILESCC(C)CCCN(CCO)CCCC(C)C.Cl
InChIInChI=1S/C14H31NO.ClH/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4;/h13-14,16H,5-12H2,1-4H3;1H
InChIKeyRZWCPSZJGULEEW-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanol, 2-(bis(2-ethylhexyl)amino)-
CID 101571
2-(Dipentylamino)ethanol
CID 263079
Ethanol, 2-(diisobutylamino)-, hydrochloride
CID 3063124
(2-Hydroxyethyl)tripentylammonium chloride
CID 3026660
2-Hydroxyethyl-dimethyl-pentylazanium
CID 10800055
Dimethyl(2-hydroxyethyl)isopentylammonium chloride
CID 3026570
gamma-Di-i-hexylaminopropanol
CID 3030979
2-[Bis(4-methylpentyl)amino]ethanol
CID 3065831
2-[4-Methylpentyl(2,2,2-trifluoroethyl)amino]ethanol
CID 106547721
2-[2,2-Difluoroethyl(4-methylpentyl)amino]ethanol
CID 107485138
2-[2,2-Difluoroethyl(2-methylpentyl)amino]ethanol
CID 107485271
2-[2-Methylpentyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485810

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride (CID 3065830) is 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride is CC(C)CCCN(CCO)CCCC(C)C.Cl.
What is the InChIKey of 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride?
The InChIKey is RZWCPSZJGULEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.ClH/c1-13(2)7-5-9-15(11-12-16)10-6-8-14(3)4;/h13-14,16H,5-12H2,1-4H3;1H.
What are the key properties of 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride?
2-[bis(4-methylpentyl)amino]ethanol;hydrochloride has a molecular weight of 265.87 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methylpentyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 3065830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).