ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate

C13H24N2O2 — CID 118562782

IUPACethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate
SMILESCCCC(C)(C)CC1=C(NNC(=O)OCC)C1
InChIInChI=1S/C13H24N2O2/c1-5-7-13(3,4)9-10-8-11(10)14-15-12(16)17-6-2/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeyZZTLZSYCGKMMFQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.11
Rot. Bonds7

About ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate

ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate (PubChem CID 118562782) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate
PubChem CID118562782
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate
SMILESCCCC(C)(C)CC1=C(NNC(=O)OCC)C1
InChIInChI=1S/C13H24N2O2/c1-5-7-13(3,4)9-10-8-11(10)14-15-12(16)17-6-2/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeyZZTLZSYCGKMMFQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate?
The IUPAC name of ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate (CID 118562782) is ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate.
What is the SMILES notation for ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate?
The canonical SMILES for ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate is CCCC(C)(C)CC1=C(NNC(=O)OCC)C1.
What is the InChIKey of ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate?
The InChIKey is ZZTLZSYCGKMMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-7-13(3,4)9-10-8-11(10)14-15-12(16)17-6-2/h14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate?
ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate has a molecular weight of 240.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-(2,2-dimethylpentyl)cyclopropen-1-yl]amino]carbamate is sourced from PubChem (CID 118562782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).