ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate

C11H22N2O2 — CID 115889548

IUPACethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(C)CC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)13-7-6-12-9(2)8-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyQJYDDLIEMFTWQA-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds7

About ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate

ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate (PubChem CID 115889548) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
PubChem CID115889548
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(C)CC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)13-7-6-12-9(2)8-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyQJYDDLIEMFTWQA-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
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

ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate
CID 115889538
ethyl N-[2-(1-methylsulfonylpropan-2-ylamino)ethyl]carbamate
CID 115901299
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-propylcarbamate
CID 12199
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029196
ethyl N-[2-[[(2S)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029197
ethyl N-[2-(heptan-3-ylamino)ethyl]carbamate
CID 115889515

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate (CID 115889548) is ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate is CCOC(=O)NCCNC(C)CC1CC1.
What is the InChIKey of ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate?
The InChIKey is QJYDDLIEMFTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)13-7-6-12-9(2)8-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate?
ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 115889548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).