(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol

C9H21NO — CID 103934940

IUPAC(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
SMILESCCC(C)N(CC)C[C@@H](C)O
InChIInChI=1S/C9H21NO/c1-5-8(3)10(6-2)7-9(4)11/h8-9,11H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyACVNLJUGBORWMS-YGPZHTELSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds5

About (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol

(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol (PubChem CID 103934940) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
PubChem CID103934940
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
SMILESCCC(C)N(CC)C[C@@H](C)O
InChIInChI=1S/C9H21NO/c1-5-8(3)10(6-2)7-9(4)11/h8-9,11H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyACVNLJUGBORWMS-YGPZHTELSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[butan-2-yl(ethyl)amino]propan-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

N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
2-[ethyl(2-hydroxypropyl)amino]propanenitrile
CID 131211886
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine
CID 177354730
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
3-[butan-2-yl(ethyl)amino]-2-(ethylamino)propan-1-ol
CID 64796148
1-[2-(dimethylamino)propyl-ethylamino]ethanol
CID 174917779
1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 168863793
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660
3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
CID 63068258

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol (CID 103934940) is (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol is CCC(C)N(CC)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol?
The InChIKey is ACVNLJUGBORWMS-YGPZHTELSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(3)10(6-2)7-9(4)11/h8-9,11H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol?
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 103934940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).