1,3-bis(tert-butylamino)propan-2-one;hydrochloride

C11H25ClN2O — CID 88754733

IUPAC1,3-bis(tert-butylamino)propan-2-one;hydrochloride
SMILESCC(C)(C)NCC(=O)CNC(C)(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;/h12-13H,7-8H2,1-6H3;1H
InChIKeyUSUFFSULPIFJPZ-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.75
Rot. Bonds4

About 1,3-bis(tert-butylamino)propan-2-one;hydrochloride

1,3-bis(tert-butylamino)propan-2-one;hydrochloride (PubChem CID 88754733) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is 1,3-bis(tert-butylamino)propan-2-one;hydrochloride.

Molecular Properties

Compound Name1,3-bis(tert-butylamino)propan-2-one;hydrochloride
PubChem CID88754733
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name1,3-bis(tert-butylamino)propan-2-one;hydrochloride
SMILESCC(C)(C)NCC(=O)CNC(C)(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;/h12-13H,7-8H2,1-6H3;1H
InChIKeyUSUFFSULPIFJPZ-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)undecan-2-one
CID 116588771
1-(tert-butylamino)-4-methylidenehexan-2-one
CID 116589016
1-(tert-butylamino)nonan-2-one
CID 116588806
1-(tert-butylamino)-3-[(tert-butylamino)methyl-methylamino]propan-2-one;methane
CID 159227934
1-(tert-butylamino)-3-[(tert-butylamino)methyl-methylamino]propan-2-one;methane
CID 161294904
2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
CID 79257129
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
4-(tert-butylamino)-3-methylbut-2-enoic acid
CID 103235172
2-(tert-butylamino)-N-propylacetamide
CID 28586578
2-(tert-butylamino)-1-(3,5-dihydroxyphenyl)ethanone;hydrochloride
CID 71316269
1-(tert-butylamino)-3-(3,4-difluorophenyl)propan-2-one
CID 116588965
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(tert-butylamino)propan-2-one;hydrochloride?
The IUPAC name of 1,3-bis(tert-butylamino)propan-2-one;hydrochloride (CID 88754733) is 1,3-bis(tert-butylamino)propan-2-one;hydrochloride.
What is the SMILES notation for 1,3-bis(tert-butylamino)propan-2-one;hydrochloride?
The canonical SMILES for 1,3-bis(tert-butylamino)propan-2-one;hydrochloride is CC(C)(C)NCC(=O)CNC(C)(C)C.Cl.
What is the InChIKey of 1,3-bis(tert-butylamino)propan-2-one;hydrochloride?
The InChIKey is USUFFSULPIFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;/h12-13H,7-8H2,1-6H3;1H.
What are the key properties of 1,3-bis(tert-butylamino)propan-2-one;hydrochloride?
1,3-bis(tert-butylamino)propan-2-one;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(tert-butylamino)propan-2-one;hydrochloride is sourced from PubChem (CID 88754733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).