5-[2-ethylhexyl(methyl)amino]pentan-1-ol

C14H31NO — CID 107203981

IUPAC5-[2-ethylhexyl(methyl)amino]pentan-1-ol
SMILESCCCCC(CC)CN(C)CCCCCO
InChIInChI=1S/C14H31NO/c1-4-6-10-14(5-2)13-15(3)11-8-7-9-12-16/h14,16H,4-13H2,1-3H3
InChIKeyRRFJSYLLXWVQSF-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.30
Rot. Bonds11

About 5-[2-ethylhexyl(methyl)amino]pentan-1-ol

5-[2-ethylhexyl(methyl)amino]pentan-1-ol (PubChem CID 107203981) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-[2-ethylhexyl(methyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-ethylhexyl(methyl)amino]pentan-1-ol
PubChem CID107203981
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-[2-ethylhexyl(methyl)amino]pentan-1-ol
SMILESCCCCC(CC)CN(C)CCCCCO
InChIInChI=1S/C14H31NO/c1-4-6-10-14(5-2)13-15(3)11-8-7-9-12-16/h14,16H,4-13H2,1-3H3
InChIKeyRRFJSYLLXWVQSF-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
CID 107203593
N-(2-chloroethyl)-2-ethyl-N-methylhexan-1-amine
CID 63386815
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine
CID 171081221
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
[9-(2-hexyldecanoyloxy)-5-[[4-hydroxybutyl(methyl)amino]methyl]nonyl] 2-hexyldecanoate
CID 167523681
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
10-ethyldodecan-1-ol
CID 18475243
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[methyl-[(Z)-2-[(Z)-octadec-9-enyl]icos-11-enyl]amino]ethanol
CID 141469823

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethylhexyl(methyl)amino]pentan-1-ol?
The IUPAC name of 5-[2-ethylhexyl(methyl)amino]pentan-1-ol (CID 107203981) is 5-[2-ethylhexyl(methyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[2-ethylhexyl(methyl)amino]pentan-1-ol?
The canonical SMILES for 5-[2-ethylhexyl(methyl)amino]pentan-1-ol is CCCCC(CC)CN(C)CCCCCO.
What is the InChIKey of 5-[2-ethylhexyl(methyl)amino]pentan-1-ol?
The InChIKey is RRFJSYLLXWVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-6-10-14(5-2)13-15(3)11-8-7-9-12-16/h14,16H,4-13H2,1-3H3.
What are the key properties of 5-[2-ethylhexyl(methyl)amino]pentan-1-ol?
5-[2-ethylhexyl(methyl)amino]pentan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethylhexyl(methyl)amino]pentan-1-ol is sourced from PubChem (CID 107203981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).