1-[2-hydroxyethyl(octyl)amino]butan-2-ol

C14H31NO2 — CID 23423733

IUPAC1-[2-hydroxyethyl(octyl)amino]butan-2-ol
SMILESCCCCCCCCN(CCO)CC(O)CC
InChIInChI=1S/C14H31NO2/c1-3-5-6-7-8-9-10-15(11-12-16)13-14(17)4-2/h14,16-17H,3-13H2,1-2H3
InChIKeyVCTKHAITZCLDQO-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.41
Rot. Bonds12

About 1-[2-hydroxyethyl(octyl)amino]butan-2-ol

1-[2-hydroxyethyl(octyl)amino]butan-2-ol (PubChem CID 23423733) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(octyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(octyl)amino]butan-2-ol
PubChem CID23423733
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-[2-hydroxyethyl(octyl)amino]butan-2-ol
SMILESCCCCCCCCN(CCO)CC(O)CC
InChIInChI=1S/C14H31NO2/c1-3-5-6-7-8-9-10-15(11-12-16)13-14(17)4-2/h14,16-17H,3-13H2,1-2H3
InChIKeyVCTKHAITZCLDQO-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
1-(dipentylamino)butan-2-ol
CID 21496903
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
1-[2-hydroxypropyl(pentyl)amino]butan-2-ol
CID 23423726
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(octyl)amino]butan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(octyl)amino]butan-2-ol (CID 23423733) is 1-[2-hydroxyethyl(octyl)amino]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(octyl)amino]butan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(octyl)amino]butan-2-ol is CCCCCCCCN(CCO)CC(O)CC.
What is the InChIKey of 1-[2-hydroxyethyl(octyl)amino]butan-2-ol?
The InChIKey is VCTKHAITZCLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-5-6-7-8-9-10-15(11-12-16)13-14(17)4-2/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(octyl)amino]butan-2-ol?
1-[2-hydroxyethyl(octyl)amino]butan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(octyl)amino]butan-2-ol is sourced from PubChem (CID 23423733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).