2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium

C8H19N2O2+ — CID 7006641

IUPAC2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
SMILESCN(CC[NH3+])C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3/p+1
InChIKeyQYJVBVKFXDHFPQ-UHFFFAOYSA-O
MW175.25 g/mol
LogP0.10
Rot. Bonds2

About 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium (PubChem CID 7006641) has the molecular formula C8H19N2O2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium.

Molecular Properties

Compound Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
PubChem CID7006641
Molecular FormulaC8H19N2O2+
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
SMILESCN(CC[NH3+])C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3/p+1
InChIKeyQYJVBVKFXDHFPQ-UHFFFAOYSA-O
XLogP0.10
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
CID 175563660
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium?
The IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium (CID 7006641) is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium.
What is the SMILES notation for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium?
The canonical SMILES for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium is CN(CC[NH3+])C(=O)OC(C)(C)C.
What is the InChIKey of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium?
The InChIKey is QYJVBVKFXDHFPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3/p+1.
What are the key properties of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium?
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium has a molecular weight of 175.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium is sourced from PubChem (CID 7006641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).