3-(diethylamino)-4-(ethylamino)butan-2-ol

C10H24N2O — CID 121467548

IUPAC3-(diethylamino)-4-(ethylamino)butan-2-ol
SMILESCCNCC(C(C)O)N(CC)CC
InChIInChI=1S/C10H24N2O/c1-5-11-8-10(9(4)13)12(6-2)7-3/h9-11,13H,5-8H2,1-4H3
InChIKeyXTVYKTBKXPSYEA-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.69
Rot. Bonds7

About 3-(diethylamino)-4-(ethylamino)butan-2-ol

3-(diethylamino)-4-(ethylamino)butan-2-ol (PubChem CID 121467548) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-(diethylamino)-4-(ethylamino)butan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-4-(ethylamino)butan-2-ol
PubChem CID121467548
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-(diethylamino)-4-(ethylamino)butan-2-ol
SMILESCCNCC(C(C)O)N(CC)CC
InChIInChI=1S/C10H24N2O/c1-5-11-8-10(9(4)13)12(6-2)7-3/h9-11,13H,5-8H2,1-4H3
InChIKeyXTVYKTBKXPSYEA-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(diethylamino)-4-(ethylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
2-(diethylamino)pentane-1,3,4-triol
CID 121452059
2-(ethylaminomethyl)butane-1,3-diol
CID 139939202
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
2-(ethylamino)-1-methoxyethanol
CID 173318467
1-bromo-2-(ethylamino)ethanol
CID 151846776
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)
CID 160729917
1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 62433170
1-(diethylamino)-1-hydrazinylpropan-2-ol
CID 88725881

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-(ethylamino)butan-2-ol?
The IUPAC name of 3-(diethylamino)-4-(ethylamino)butan-2-ol (CID 121467548) is 3-(diethylamino)-4-(ethylamino)butan-2-ol.
What is the SMILES notation for 3-(diethylamino)-4-(ethylamino)butan-2-ol?
The canonical SMILES for 3-(diethylamino)-4-(ethylamino)butan-2-ol is CCNCC(C(C)O)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-4-(ethylamino)butan-2-ol?
The InChIKey is XTVYKTBKXPSYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-11-8-10(9(4)13)12(6-2)7-3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(diethylamino)-4-(ethylamino)butan-2-ol?
3-(diethylamino)-4-(ethylamino)butan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-4-(ethylamino)butan-2-ol is sourced from PubChem (CID 121467548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).