tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate

C15H32N4O2 — CID 109377410

IUPACtert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCN=C(NCC)NCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N4O2/c1-7-11-19(14(20)21-15(4,5)6)12-10-18-13(16-8-2)17-9-3/h7-12H2,1-6H3,(H2,16,17,18)
InChIKeyYBOCMNDOOOLQSP-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.21
Rot. Bonds7

About tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate (PubChem CID 109377410) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate
PubChem CID109377410
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Nametert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCN=C(NCC)NCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N4O2/c1-7-11-19(14(20)21-15(4,5)6)12-10-18-13(16-8-2)17-9-3/h7-12H2,1-6H3,(H2,16,17,18)
InChIKeyYBOCMNDOOOLQSP-UHFFFAOYSA-N
XLogP2.21
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate (CID 109377410) is tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate is CCCN(CCN=C(NCC)NCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate?
The InChIKey is YBOCMNDOOOLQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-7-11-19(14(20)21-15(4,5)6)12-10-18-13(16-8-2)17-9-3/h7-12H2,1-6H3,(H2,16,17,18).
What are the key properties of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate has a molecular weight of 300.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 109377410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).