tert-butyl N-[(2-aminoethylamino)methyl]carbamate

C8H19N3O2 — CID 170030361

IUPACtert-butyl N-[(2-aminoethylamino)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCNCCN
InChIInChI=1S/C8H19N3O2/c1-8(2,3)13-7(12)11-6-10-5-4-9/h10H,4-6,9H2,1-3H3,(H,11,12)
InChIKeyBTXLLCUYJZEAFO-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.02
Rot. Bonds4

About tert-butyl N-[(2-aminoethylamino)methyl]carbamate

tert-butyl N-[(2-aminoethylamino)methyl]carbamate (PubChem CID 170030361) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is tert-butyl N-[(2-aminoethylamino)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-aminoethylamino)methyl]carbamate
PubChem CID170030361
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Nametert-butyl N-[(2-aminoethylamino)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCNCCN
InChIInChI=1S/C8H19N3O2/c1-8(2,3)13-7(12)11-6-10-5-4-9/h10H,4-6,9H2,1-3H3,(H,11,12)
InChIKeyBTXLLCUYJZEAFO-UHFFFAOYSA-N
XLogP0.02
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(ethylaminomethyl)carbamate
CID 141447583
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(5-aminopent-2-ynyl)carbamate
CID 86698555
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-aminoethylamino)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-aminoethylamino)methyl]carbamate (CID 170030361) is tert-butyl N-[(2-aminoethylamino)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-aminoethylamino)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-aminoethylamino)methyl]carbamate is CC(C)(C)OC(=O)NCNCCN.
What is the InChIKey of tert-butyl N-[(2-aminoethylamino)methyl]carbamate?
The InChIKey is BTXLLCUYJZEAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-8(2,3)13-7(12)11-6-10-5-4-9/h10H,4-6,9H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-[(2-aminoethylamino)methyl]carbamate?
tert-butyl N-[(2-aminoethylamino)methyl]carbamate has a molecular weight of 189.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-aminoethylamino)methyl]carbamate is sourced from PubChem (CID 170030361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).