tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride

C9H21ClN2O2 — CID 45072479

IUPACtert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
SMILESCC(C)(CN)NC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-8(2,3)13-7(12)11-9(4,5)6-10;/h6,10H2,1-5H3,(H,11,12);1H
InChIKeyJMLZLOMGUNTNJG-UHFFFAOYSA-N
MW224.73 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride

tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride (PubChem CID 45072479) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
PubChem CID45072479
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Nametert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
SMILESCC(C)(CN)NC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-8(2,3)13-7(12)11-9(4,5)6-10;/h6,10H2,1-5H3,(H,11,12);1H
InChIKeyJMLZLOMGUNTNJG-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(4-chloro-2-methylbutan-2-yl)carbamate;4-chloro-2-methylbutan-2-amine
CID 159883032
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
CID 111757731
2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 123216246
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride (CID 45072479) is tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride is CC(C)(CN)NC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride?
The InChIKey is JMLZLOMGUNTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-8(2,3)13-7(12)11-9(4,5)6-10;/h6,10H2,1-5H3,(H,11,12);1H.
What are the key properties of tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride?
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride is sourced from PubChem (CID 45072479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).