tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate

C13H26N2O3 — CID 107238308

IUPACtert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
SMILESCCOCC(C)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-6-17-8-9(2)14-10-7-11(10)15-12(16)18-13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyIBUDRZKIKMGEBS-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.67
Rot. Bonds6

About tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate

tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate (PubChem CID 107238308) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
PubChem CID107238308
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
SMILESCCOCC(C)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-6-17-8-9(2)14-10-7-11(10)15-12(16)18-13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyIBUDRZKIKMGEBS-UHFFFAOYSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
CID 107237772
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[(2S)-1-ethoxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;sulfane
CID 161043210
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237567
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate (CID 107238308) is tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate is CCOCC(C)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate?
The InChIKey is IBUDRZKIKMGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-17-8-9(2)14-10-7-11(10)15-12(16)18-13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107238308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).