(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol

C8H19NO — CID 93082740

IUPAC(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
SMILESCC(C)[C@H](C)N[C@H](C)CO
InChIInChI=1S/C8H19NO/c1-6(2)8(4)9-7(3)5-10/h6-10H,5H2,1-4H3/t7-,8+/m1/s1
InChIKeyCKHJRQGXPRKOQE-SFYZADRCSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds4

About (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol

(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol (PubChem CID 93082740) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
PubChem CID93082740
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
SMILESCC(C)[C@H](C)N[C@H](C)CO
InChIInChI=1S/C8H19NO/c1-6(2)8(4)9-7(3)5-10/h6-10H,5H2,1-4H3/t7-,8+/m1/s1
InChIKeyCKHJRQGXPRKOQE-SFYZADRCSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-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

2-[(1-Methylpropyl)amino]ethanol
CID 98429
2-(Isobutylamino)ethanol
CID 28264
2-((3-Methylbutyl)amino)ethan-1-ol
CID 278477
2-(2-Methylbutylamino)-ethanol
CID 296374
(2S)-2-[(2-{[(1S)-2-hydroxy-1-(methylethyl)ethyl]amino}ethyl)amino]-3-methylbutan-1-ol
CID 486264
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
2-(Ethylamino)butan-1-ol
CID 469952
2-(2-(1-Hydroxymethyl-2-methyl-propylamino)-ethylamino)-3-methyl-butan-1-OL
CID 469991
2-[(1-Ethylpropyl)amino]ethanol
CID 245049
2-Butanol, 3-methyl-3-(N-methyl-N-isopropyl)amino-, hydrochloride
CID 46415
2-(Ethylamino)propan-1-ol
CID 14302278
(2S)-2-(ethylamino)propan-1-ol
CID 14302279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol (CID 93082740) is (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol is CC(C)[C@H](C)N[C@H](C)CO.
What is the InChIKey of (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol?
The InChIKey is CKHJRQGXPRKOQE-SFYZADRCSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)8(4)9-7(3)5-10/h6-10H,5H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol?
(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol is sourced from PubChem (CID 93082740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).