tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate

C16H33N3O2 — CID 80560744

IUPACtert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
SMILESCC(C)C(CN(C)C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-11(2)14(10-19(6)7)17-12-8-13(9-12)18-15(20)21-16(3,4)5/h11-14,17H,8-10H2,1-7H3,(H,18,20)
InChIKeyPKHZKMMVHWFTFY-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.22
Rot. Bonds6

About tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate (PubChem CID 80560744) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
PubChem CID80560744
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
SMILESCC(C)C(CN(C)C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-11(2)14(10-19(6)7)17-12-8-13(9-12)18-15(20)21-16(3,4)5/h11-14,17H,8-10H2,1-7H3,(H,18,20)
InChIKeyPKHZKMMVHWFTFY-UHFFFAOYSA-N
XLogP2.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 80559507
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CID 83178088
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
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tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
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tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
CID 80560519
tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
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tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
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tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
CID 54958485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate (CID 80560744) is tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate is CC(C)C(CN(C)C)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate?
The InChIKey is PKHZKMMVHWFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-11(2)14(10-19(6)7)17-12-8-13(9-12)18-15(20)21-16(3,4)5/h11-14,17H,8-10H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate has a molecular weight of 299.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 80560744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).