2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol

C14H36N2O2 — CID 171562694

IUPAC2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
SMILESCC.CCCN(C)CCCCO.CN(C)CCO
InChIInChI=1S/C8H19NO.C4H11NO.C2H6/c1-3-6-9(2)7-4-5-8-10;1-5(2)3-4-6;1-2/h10H,3-8H2,1-2H3;6H,3-4H2,1-2H3;1-2H3
InChIKeyQZBZTPZHURHLFZ-UHFFFAOYSA-N
MW264.45 g/mol
LogP1.67
Rot. Bonds8

About 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol

2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol (PubChem CID 171562694) has the molecular formula C14H36N2O2 and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
PubChem CID171562694
Molecular FormulaC14H36N2O2
Molecular Weight264.45 g/mol
Exact Mass264.28
IUPAC Name2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
SMILESCC.CCCN(C)CCCCO.CN(C)CCO
InChIInChI=1S/C8H19NO.C4H11NO.C2H6/c1-3-6-9(2)7-4-5-8-10;1-5(2)3-4-6;1-2/h10H,3-8H2,1-2H3;6H,3-4H2,1-2H3;1-2H3
InChIKeyQZBZTPZHURHLFZ-UHFFFAOYSA-N
XLogP1.67
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(octyl)amino]butan-1-ol
CID 87238675
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 162002225
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyldodecan-1-amine;hexane-1,6-diol;dihydrochloride
CID 158316231
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol?
The IUPAC name of 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol (CID 171562694) is 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol.
What is the SMILES notation for 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol?
The canonical SMILES for 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol is CC.CCCN(C)CCCCO.CN(C)CCO.
What is the InChIKey of 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol?
The InChIKey is QZBZTPZHURHLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C4H11NO.C2H6/c1-3-6-9(2)7-4-5-8-10;1-5(2)3-4-6;1-2/h10H,3-8H2,1-2H3;6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol?
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol has a molecular weight of 264.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol is sourced from PubChem (CID 171562694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).