tert-butyl N-(ethylaminomethyl)carbamate

C8H18N2O2 — CID 141447583

IUPACtert-butyl N-(ethylaminomethyl)carbamate
SMILESCCNCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-9-6-10-7(11)12-8(2,3)4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeySMLHLCOTERHQAO-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.08
Rot. Bonds3

About tert-butyl N-(ethylaminomethyl)carbamate

tert-butyl N-(ethylaminomethyl)carbamate (PubChem CID 141447583) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl N-(ethylaminomethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(ethylaminomethyl)carbamate
PubChem CID141447583
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl N-(ethylaminomethyl)carbamate
SMILESCCNCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-9-6-10-7(11)12-8(2,3)4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeySMLHLCOTERHQAO-UHFFFAOYSA-N
XLogP1.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-aminoethylamino)methyl]carbamate
CID 170030361
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-butylcarbamate;methane
CID 153346289

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(ethylaminomethyl)carbamate?
The IUPAC name of tert-butyl N-(ethylaminomethyl)carbamate (CID 141447583) is tert-butyl N-(ethylaminomethyl)carbamate.
What is the SMILES notation for tert-butyl N-(ethylaminomethyl)carbamate?
The canonical SMILES for tert-butyl N-(ethylaminomethyl)carbamate is CCNCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(ethylaminomethyl)carbamate?
The InChIKey is SMLHLCOTERHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-9-6-10-7(11)12-8(2,3)4/h9H,5-6H2,1-4H3,(H,10,11).
What are the key properties of tert-butyl N-(ethylaminomethyl)carbamate?
tert-butyl N-(ethylaminomethyl)carbamate has a molecular weight of 174.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(ethylaminomethyl)carbamate is sourced from PubChem (CID 141447583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).