tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride

C11H27ClN2O — CID 44723542

IUPACtert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride
SMILESCC(C)(C)NCC(O)C[NH2+]C(C)(C)C.[Cl-]
InChIInChI=1S/C11H26N2O.ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;/h9,12-14H,7-8H2,1-6H3;1H
InChIKeyGKBTYSMCZMTFTD-UHFFFAOYSA-N
MW238.80 g/mol
LogP-2.90
Rot. Bonds4

About tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride

tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride (PubChem CID 44723542) has the molecular formula C11H27ClN2O and a molecular weight of 238.80 g/mol. Its IUPAC name is tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride.

Molecular Properties

Compound Nametert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride
PubChem CID44723542
Molecular FormulaC11H27ClN2O
Molecular Weight238.80 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride
SMILESCC(C)(C)NCC(O)C[NH2+]C(C)(C)C.[Cl-]
InChIInChI=1S/C11H26N2O.ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;/h9,12-14H,7-8H2,1-6H3;1H
InChIKeyGKBTYSMCZMTFTD-UHFFFAOYSA-N
XLogP-2.90
TPSA48.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.80
LogP ≤ 5-2.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride 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

(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
1-(tert-butylamino)octan-2-ol
CID 62774713
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol
CID 159453703
1-(tert-butylamino)hept-5-yn-2-ol
CID 104813065

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride?
The IUPAC name of tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride (CID 44723542) is tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride.
What is the SMILES notation for tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride?
The canonical SMILES for tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride is CC(C)(C)NCC(O)C[NH2+]C(C)(C)C.[Cl-].
What is the InChIKey of tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride?
The InChIKey is GKBTYSMCZMTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O.ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;/h9,12-14H,7-8H2,1-6H3;1H.
What are the key properties of tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride?
tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride has a molecular weight of 238.80 g/mol, XLogP of -2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride is sourced from PubChem (CID 44723542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).