tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate

C13H28N2O2 — CID 130573926

IUPACtert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
SMILESCCC(C)NC(C)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-8-9(2)14-10(3)11(4)15-12(16)17-13(5,6)7/h9-11,14H,8H2,1-7H3,(H,15,16)
InChIKeyXRLTVTFIVUXMTG-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.68
Rot. Bonds5

About tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate (PubChem CID 130573926) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
PubChem CID130573926
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
SMILESCCC(C)NC(C)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-8-9(2)14-10(3)11(4)15-12(16)17-13(5,6)7/h9-11,14H,8H2,1-7H3,(H,15,16)
InChIKeyXRLTVTFIVUXMTG-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143350838
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2S,3S)-3-hydroxypentan-2-yl]carbamate;ethane;molecular hydrogen
CID 144591557
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
CID 102729964
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate (CID 130573926) is tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate is CCC(C)NC(C)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is XRLTVTFIVUXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-8-9(2)14-10(3)11(4)15-12(16)17-13(5,6)7/h9-11,14H,8H2,1-7H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 130573926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).