tert-butyl N-(aminomethyl)-N-ethylcarbamate

C8H18N2O2 — CID 130382766

IUPACtert-butyl N-(aminomethyl)-N-ethylcarbamate
SMILESCCN(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-10(6-9)7(11)12-8(2,3)4/h5-6,9H2,1-4H3
InChIKeyARVGVYGDQOJVRE-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds2

About tert-butyl N-(aminomethyl)-N-ethylcarbamate

tert-butyl N-(aminomethyl)-N-ethylcarbamate (PubChem CID 130382766) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl N-(aminomethyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(aminomethyl)-N-ethylcarbamate
PubChem CID130382766
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl N-(aminomethyl)-N-ethylcarbamate
SMILESCCN(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-10(6-9)7(11)12-8(2,3)4/h5-6,9H2,1-4H3
InChIKeyARVGVYGDQOJVRE-UHFFFAOYSA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate
CID 170986449
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
CID 88586315
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N,N-bis(2-fluoroethyl)carbamate
CID 142420542
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(aminomethyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(aminomethyl)-N-ethylcarbamate (CID 130382766) is tert-butyl N-(aminomethyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(aminomethyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(aminomethyl)-N-ethylcarbamate is CCN(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(aminomethyl)-N-ethylcarbamate?
The InChIKey is ARVGVYGDQOJVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-10(6-9)7(11)12-8(2,3)4/h5-6,9H2,1-4H3.
What are the key properties of tert-butyl N-(aminomethyl)-N-ethylcarbamate?
tert-butyl N-(aminomethyl)-N-ethylcarbamate has a molecular weight of 174.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(aminomethyl)-N-ethylcarbamate is sourced from PubChem (CID 130382766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).