tert-butyl formate;cyclopentanamine;methanamine

C11H26N2O2 — CID 177039317

IUPACtert-butyl formate;cyclopentanamine;methanamine
SMILESCC(C)(C)OC=O.CN.NC1CCCC1
InChIInChI=1S/C5H11N.C5H10O2.CH5N/c6-5-3-1-2-4-5;1-5(2,3)7-4-6;1-2/h5H,1-4,6H2;4H,1-3H3;2H2,1H3
InChIKeyFVGQMVJIYNEDNR-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.42
Rot. Bonds1

About tert-butyl formate;cyclopentanamine;methanamine

tert-butyl formate;cyclopentanamine;methanamine (PubChem CID 177039317) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is tert-butyl formate;cyclopentanamine;methanamine.

Molecular Properties

Compound Nametert-butyl formate;cyclopentanamine;methanamine
PubChem CID177039317
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Nametert-butyl formate;cyclopentanamine;methanamine
SMILESCC(C)(C)OC=O.CN.NC1CCCC1
InChIInChI=1S/C5H11N.C5H10O2.CH5N/c6-5-3-1-2-4-5;1-5(2,3)7-4-6;1-2/h5H,1-4,6H2;4H,1-3H3;2H2,1H3
InChIKeyFVGQMVJIYNEDNR-UHFFFAOYSA-N
XLogP1.42
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;cyclopentanamine;methanamine?
The IUPAC name of tert-butyl formate;cyclopentanamine;methanamine (CID 177039317) is tert-butyl formate;cyclopentanamine;methanamine.
What is the SMILES notation for tert-butyl formate;cyclopentanamine;methanamine?
The canonical SMILES for tert-butyl formate;cyclopentanamine;methanamine is CC(C)(C)OC=O.CN.NC1CCCC1.
What is the InChIKey of tert-butyl formate;cyclopentanamine;methanamine?
The InChIKey is FVGQMVJIYNEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H10O2.CH5N/c6-5-3-1-2-4-5;1-5(2,3)7-4-6;1-2/h5H,1-4,6H2;4H,1-3H3;2H2,1H3.
What are the key properties of tert-butyl formate;cyclopentanamine;methanamine?
tert-butyl formate;cyclopentanamine;methanamine has a molecular weight of 218.34 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;cyclopentanamine;methanamine is sourced from PubChem (CID 177039317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).