tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate

C13H26N2O2 — CID 103711573

IUPACtert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate
SMILESCCCC1CC1NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-10-9-11(10)14-7-8-15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyMNODCYNUOYVJHY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds6

About tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate

tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate (PubChem CID 103711573) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate
PubChem CID103711573
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate
SMILESCCCC1CC1NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-10-9-11(10)14-7-8-15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyMNODCYNUOYVJHY-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

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tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
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tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
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tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate (CID 103711573) is tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate is CCCC1CC1NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate?
The InChIKey is MNODCYNUOYVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-6-10-9-11(10)14-7-8-15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2-propylcyclopropyl)amino]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-[(2-propylcyclopropyl)amino]ethyl]carbamate is sourced from PubChem (CID 103711573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).