tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate

C13H26N2O2 — CID 103735451

IUPACtert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
SMILESCCC1(CNCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-13(6-7-13)10-14-8-9-15-11(16)17-12(2,3)4/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyRJFOPZXBSFHDFO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds6

About tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate (PubChem CID 103735451) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
PubChem CID103735451
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
SMILESCCC1(CNCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-13(6-7-13)10-14-8-9-15-11(16)17-12(2,3)4/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyRJFOPZXBSFHDFO-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate (CID 103735451) is tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate is CCC1(CNCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate?
The InChIKey is RJFOPZXBSFHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-13(6-7-13)10-14-8-9-15-11(16)17-12(2,3)4/h14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 103735451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).