ethane;(2-ethylcyclopropyl) N-butylcarbamate

C12H25NO2 — CID 144521801

IUPACethane;(2-ethylcyclopropyl) N-butylcarbamate
SMILESCC.CCCCNC(=O)OC1CC1CC
InChIInChI=1S/C10H19NO2.C2H6/c1-3-5-6-11-10(12)13-9-7-8(9)4-2;1-2/h8-9H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyQTQMALVLADCZIN-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds5

About ethane;(2-ethylcyclopropyl) N-butylcarbamate

ethane;(2-ethylcyclopropyl) N-butylcarbamate (PubChem CID 144521801) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;(2-ethylcyclopropyl) N-butylcarbamate.

Molecular Properties

Compound Nameethane;(2-ethylcyclopropyl) N-butylcarbamate
PubChem CID144521801
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;(2-ethylcyclopropyl) N-butylcarbamate
SMILESCC.CCCCNC(=O)OC1CC1CC
InChIInChI=1S/C10H19NO2.C2H6/c1-3-5-6-11-10(12)13-9-7-8(9)4-2;1-2/h8-9H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyQTQMALVLADCZIN-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl N-butylcarbamate
CID 165447718
[(2S)-2-bicyclo[2.2.1]heptanyl] N-butylcarbamate
CID 46700884
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-butylcarbamate
CID 58534266
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-pentylcarbamate
CID 58715353
[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-butylcarbamate
CID 25133941
(5-methyl-2-propan-2-ylcyclohexyl) N-octylcarbamate
CID 91726626
phosphanyl N-butylcarbamate
CID 89204581
piperidin-3-yl N-butylcarbamate
CID 68747208
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387
aminomethyl N-butylcarbamate
CID 139491046
phosphono N-butylcarbamate
CID 154142807
tert-butyl N-butylcarbamate;methane
CID 153346289

Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethylcyclopropyl) N-butylcarbamate?
The IUPAC name of ethane;(2-ethylcyclopropyl) N-butylcarbamate (CID 144521801) is ethane;(2-ethylcyclopropyl) N-butylcarbamate.
What is the SMILES notation for ethane;(2-ethylcyclopropyl) N-butylcarbamate?
The canonical SMILES for ethane;(2-ethylcyclopropyl) N-butylcarbamate is CC.CCCCNC(=O)OC1CC1CC.
What is the InChIKey of ethane;(2-ethylcyclopropyl) N-butylcarbamate?
The InChIKey is QTQMALVLADCZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-3-5-6-11-10(12)13-9-7-8(9)4-2;1-2/h8-9H,3-7H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;(2-ethylcyclopropyl) N-butylcarbamate?
ethane;(2-ethylcyclopropyl) N-butylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethylcyclopropyl) N-butylcarbamate is sourced from PubChem (CID 144521801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).