1-[2-(butylamino)ethylamino]butan-2-ol

C10H24N2O — CID 54163788

IUPAC1-[2-(butylamino)ethylamino]butan-2-ol
SMILESCCCCNCCNCC(O)CC
InChIInChI=1S/C10H24N2O/c1-3-5-6-11-7-8-12-9-10(13)4-2/h10-13H,3-9H2,1-2H3
InChIKeyOQFZUZHNPUCOFW-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.74
Rot. Bonds9

About 1-[2-(butylamino)ethylamino]butan-2-ol

1-[2-(butylamino)ethylamino]butan-2-ol (PubChem CID 54163788) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[2-(butylamino)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(butylamino)ethylamino]butan-2-ol
PubChem CID54163788
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-[2-(butylamino)ethylamino]butan-2-ol
SMILESCCCCNCCNCC(O)CC
InChIInChI=1S/C10H24N2O/c1-3-5-6-11-7-8-12-9-10(13)4-2/h10-13H,3-9H2,1-2H3
InChIKeyOQFZUZHNPUCOFW-UHFFFAOYSA-N
XLogP0.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(octadecylamino)butan-2-ol
CID 174541083
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
1-amino-2-(butylamino)ethanol;hydrobromide
CID 174960683
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butylamino)ethylamino]butan-2-ol?
The IUPAC name of 1-[2-(butylamino)ethylamino]butan-2-ol (CID 54163788) is 1-[2-(butylamino)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-(butylamino)ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-(butylamino)ethylamino]butan-2-ol is CCCCNCCNCC(O)CC.
What is the InChIKey of 1-[2-(butylamino)ethylamino]butan-2-ol?
The InChIKey is OQFZUZHNPUCOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-5-6-11-7-8-12-9-10(13)4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(butylamino)ethylamino]butan-2-ol?
1-[2-(butylamino)ethylamino]butan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylamino)ethylamino]butan-2-ol is sourced from PubChem (CID 54163788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).