tert-butyl carbamate;2,4-dimethylpentane

C12H27NO2 — CID 177025582

IUPACtert-butyl carbamate;2,4-dimethylpentane
SMILESCC(C)(C)OC(N)=O.CC(C)CC(C)C
InChIInChI=1S/C7H16.C5H11NO2/c1-6(2)5-7(3)4;1-5(2,3)8-4(6)7/h6-7H,5H2,1-4H3;1-3H3,(H2,6,7)
InChIKeyQWGCWIZIHXZHAP-UHFFFAOYSA-N
MW217.35 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl carbamate;2,4-dimethylpentane

tert-butyl carbamate;2,4-dimethylpentane (PubChem CID 177025582) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is tert-butyl carbamate;2,4-dimethylpentane.

Molecular Properties

Compound Nametert-butyl carbamate;2,4-dimethylpentane
PubChem CID177025582
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Nametert-butyl carbamate;2,4-dimethylpentane
SMILESCC(C)(C)OC(N)=O.CC(C)CC(C)C
InChIInChI=1S/C7H16.C5H11NO2/c1-6(2)5-7(3)4;1-5(2,3)8-4(6)7/h6-7H,5H2,1-4H3;1-3H3,(H2,6,7)
InChIKeyQWGCWIZIHXZHAP-UHFFFAOYSA-N
XLogP3.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl 2-isocyano-4-methylpentanoate
CID 75168707
(2S)-3-amino-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 87751195
tert-butyl 2-(hydroxymethyl)-4-methylpentanoate
CID 86048935
tert-butyl carbamate;cyclopropyne
CID 174661984
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,3-dimethylbutan-2-yl carbamate
CID 20975410
(E)-but-2-enedioic acid;tert-butyl carbamate
CID 174561382
tert-butyl carbamate;1,4-diazabicyclo[2.2.2]octane
CID 130276490
5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 21222349
tert-butyl 2-(ethylamino)-4-methylpentanoate
CID 142936593
(2S,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 10634159

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2,4-dimethylpentane?
The IUPAC name of tert-butyl carbamate;2,4-dimethylpentane (CID 177025582) is tert-butyl carbamate;2,4-dimethylpentane.
What is the SMILES notation for tert-butyl carbamate;2,4-dimethylpentane?
The canonical SMILES for tert-butyl carbamate;2,4-dimethylpentane is CC(C)(C)OC(N)=O.CC(C)CC(C)C.
What is the InChIKey of tert-butyl carbamate;2,4-dimethylpentane?
The InChIKey is QWGCWIZIHXZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H11NO2/c1-6(2)5-7(3)4;1-5(2,3)8-4(6)7/h6-7H,5H2,1-4H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2,4-dimethylpentane?
tert-butyl carbamate;2,4-dimethylpentane has a molecular weight of 217.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2,4-dimethylpentane is sourced from PubChem (CID 177025582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).